SCHEMBL20598140

SCHEMBL20598140

O=C(Nc1ccc(N2CCOCC2)cc1N1CCCCC1)c1ccc(Br)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.67
▸ MAPK10 P53779 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ CSF1R P07333 7/20 0.66
▸ NPC1 O15118 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ HTT P42858 4/20 0.64
▸ GAA P10253 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ MAPT P10636 3/20 0.63
▸ TP53 P04637 2/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ MCL1 Q07820 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ KMT2A Q03164 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL20598829 0.92 NPC1 (0.72) ALDH1A1MAPK10HPGDTSHRCSF1R
SCHEMBL20598407 0.85 NPC1 (0.63) ALDH1A1MAPK10HPGDTSHRCSF1R
SCHEMBL13405629 0.85 CSF1R (0.90) CSF1R
SCHEMBL20598198 0.85 CSF1R (0.62) ALDH1A1MAPK10HPGDTSHRCSF1R
SCHEMBL20598528 0.84 CSF1R (0.61) ALDH1A1MAPK10HPGDTSHRCSF1R
SCHEMBL20598626 0.84 CSF1R (0.61) ALDH1A1MAPK10HPGDTSHRCSF1R
SCHEMBL20598769 0.82 ALDH1A1 (0.61) ALDH1A1MAPK10HPGDTSHRCSF1R
SCHEMBL28379784 0.81 MAPK10 (0.74) ALDH1A1MAPK10HPGDTSHRCSF1R
SCHEMBL20598106 0.81 CSF1R (0.57) ALDH1A1MAPK10HPGDTSHRCSF1R
SCHEMBL13405648 0.81 CSF1R (0.68) ALDH1A1MAPK10CSF1RHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — US disclosed
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — US disclosed
US-11059814-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-11059814-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 — — US disclosed
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2020-06-11 — — US disclosed
EP-3645525-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING Rigel Pharmaceuticals, Inc. (US) 2020-05-06 — — EP disclosed
CN-111032642-A Kinase inhibitors and methods of making and using 里格尔药品股份有限公司 2020-04-17 — — CN disclosed
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US disclosed
US-10590121-B2 Kinase inhibitors and methods for making and using RIGEL PHARMACEUTICALS, INC. (US) 2020-03-17 — — US disclosed
WO-2019006126-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — WO disclosed
WO-2019006126-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — WO disclosed
US-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — US disclosed
US-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2019-01-03 — — 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-20190002455-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 2414/4885MAPK10 295/4885HPGD 2341/4885
US-20210309655-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 2414/4885MAPK10 295/4885HPGD 2341/4885
US-10590121-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1343/4885MAPK10 185/4885HPGD 2145/4885
US-20200181135-A1 KINASE INHIBITORS AND METHODS FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 2414/4885MAPK10 295/4885HPGD 2341/4885
US-11059814-B2 Kinase inhibitors and methods for making and using IRAK1, IRAK2, IRAK3 ALDH1A1 1328/4885MAPK10 195/4885HPGD 1800/4885

“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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