SCHEMBL12388585

SCHEMBL12388585

CC(C)(C)c1cccc(-c2ncco2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.53
▸ HPGDS O60760 1/20 0.46
▸ LTA4H P09960 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ CTSA P10619 3/20 0.38
▸ BACE1 P56817 3/20 0.37
▸ BACE2 Q9Y5Z0 3/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ HDAC4 P56524 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14310734 0.86 HPGDS (0.43) KIF11HPGDSLTA4HNOTUMBACE1
SCHEMBL9258818 0.83 NOTUM (0.58) HPGDSLTA4HNOTUMBRD4NPC1
SCHEMBL3964365 0.82 HPGDS (0.58) HPGDSLTA4HNOTUMBACE1BACE2
SCHEMBL13222357 0.79 LTA4H (0.50) KIF11HPGDSLTA4HNOTUMNPC1
SCHEMBL16159319 0.78 HPGDS (0.55) HPGDSLTA4HNOTUMBACE1BACE2
SCHEMBL24037525 0.77 S1PR1 (0.41) KIF11HPGDSLTA4HNOTUMNPC1
SCHEMBL3098624 0.77 RAB9A (0.51) HPGDSLTA4HNOTUMBACE1NPC1
SCHEMBL14752258 0.77 HPGDS (0.39) KIF11HPGDSLTA4HBACE1BACE2
SCHEMBL16383003 0.76 HPGDS (0.43) HPGDSLTA4HNOTUMBACE1BACE2
SCHEMBL2152660 0.75 HPGDS (0.61) HPGDSLTA4HBACE1BACE2HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 — — US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 — — US disclosed
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 — — US disclosed
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 — — US disclosed
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-04-20 — — US disclosed
US-11325930-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2022-05-10 — — US disclosed
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2021-05-20 — — US disclosed
US-10947259-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2021-03-16 — — US disclosed
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-12-17 — — US disclosed
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2020-10-01 — — US disclosed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 — — US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 — — US disclosed
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2015-01-08 — — US disclosed
US-8809341-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 — — US disclosed
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2011-08-04 — — US disclosed
US-7884111-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 — — US disclosed
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-31 — — US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 — — US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 — — US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA KIF11 2289/4885HPGDS 378/4885LTA4H 3261/4885
US-11325930-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS KIF11 3487/4885HPGDS 469/4885LTA4H 3109/4885
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS KIF11 3487/4885HPGDS 469/4885LTA4H 3109/4885
US-10947259-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS KIF11 3487/4885HPGDS 469/4885LTA4H 3109/4885
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA KIF11 2289/4885HPGDS 378/4885LTA4H 3261/4885
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 KIF11 4156/4885HPGDS 1325/4885LTA4H 353/4885
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA KIF11 2289/4885HPGDS 378/4885LTA4H 3261/4885
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents MKI67, TYMP, PCNA KIF11 2289/4885HPGDS 378/4885LTA4H 3261/4885
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA KIF11 2289/4885HPGDS 378/4885LTA4H 3261/4885
US-20210147454-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS KIF11 3487/4885HPGDS 469/4885LTA4H 3109/4885
US-20200308161-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, P2RX3 KIF11 4156/4885HPGDS 1325/4885LTA4H 353/4885
US-20230121700-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 KIF11 4103/4885HPGDS 1375/4885LTA4H 418/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS KIF11 3487/4885HPGDS 469/4885LTA4H 3109/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS KIF11 3487/4885HPGDS 469/4885LTA4H 3109/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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