SCHEMBL16042060

SCHEMBL16042060

FC(F)(F)c1nc2ccc(Br)cc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.63
▸ KDM4E B2RXH2 4/20 0.63
▸ MAPT P10636 3/20 0.63
▸ HPGD P15428 2/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ POLB P06746 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.48
▸ MMP2 P08253 3/20 0.47
▸ MMP9 P14780 3/20 0.47
▸ MMP8 P22894 3/20 0.47
▸ MMP13 P45452 3/20 0.47

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
SCHEMBL30016904 1.00 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL1284461 0.86 NPSR1 (0.58) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL16306688 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL31267625 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL10694441 0.80 KDM4E (0.65) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL436153 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL521212 0.79 MAPT (0.97) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL9866412 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL1887466 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHPGDCYP1A2
SCHEMBL27796465 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTHPGDCYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 — — US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
US-9783488-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-10-10 — — US disclosed
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 — — US disclosed
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF BIOFOCUS DPI LIMITED (GB) 2016-02-11 — — US disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — 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 (5 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E ALDH1A1 347/4885KDM4E 944/4885MAPT 4826/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E ALDH1A1 347/4885KDM4E 944/4885MAPT 4826/4885
US-20160039745-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 ALDH1A1 559/4885KDM4E 166/4885MAPT 3029/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E ALDH1A1 138/4885KDM4E 1125/4885MAPT 4849/4885
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 ALDH1A1 3595/4885KDM4E 340/4885MAPT 2993/4885

“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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