SCHEMBL2123878

SCHEMBL2123878

COc1ccc(Nc2c(-c3ccc(OCC(=O)NC4CC4)c(OC)c3)[nH]c3c(C#N)cnn23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ RET P07949 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ QPCT Q16769 2/20 0.39
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ LDHA P00338 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ KLK1 P06870 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ ADORA2A P29274 1/20 0.38

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
SCHEMBL18686168 0.88 CSNK2A1 (0.43) HPGDPRKCQCSNK2A1ADORA2AADORA2B
SCHEMBL2125521 0.88 PRKCQ (0.42) KDM4EMAPTHPGDQPCTPRKCQ
SCHEMBL2125564 0.88 PRKCQ (0.42) NPC1RAB9AHPGDPRKCQCSNK2A1
SCHEMBL2122009 0.87 PRKCQ (0.42) KDM4EHPGDQPCTPRKCQCSNK2A1
SCHEMBL2124351 0.84 PRKCQ (0.39) KDM4EMAPTQPCTGRIN1GRIN2B
SCHEMBL2124008 0.84 PRKCQ (0.44) KDM4EPRKCQCSNK2A1
SCHEMBL2125445 0.83 PRKCQ (0.38) GRIN1GRIN2BPRKCQCSNK2A1ADORA2A
SCHEMBL18686156 0.83 MPO (0.39) HPGDGRIN1GRIN2BPRKCQCSNK2A1
SCHEMBL2124285 0.82 PRKCQ (0.47) KDM4EPRKCQCSNK2A1
SCHEMBL2122787 0.82 PRKCQ (0.38) GRIN1GRIN2BPRKCQCSNK2A1

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
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 — — EP claimed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 — — US claimed
EP-2443123-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) Rigel Pharmaceuticals, Inc. (US) 2012-04-25 — — EP claimed
WO-2010147898-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS, INC. (US) 2010-12-23 — — WO claimed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 — — US claimed
EP-2827890-B1 IMMUNOMODULATORY AGENT AND USES THEREFOR UNIV QUEENSLAND (AU) 2019-08-28 — — EP disclosed
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 — — EP disclosed
US-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-06 — — US disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 — — US disclosed
EP-2443123-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) Rigel Pharmaceuticals, Inc. (US) 2012-04-25 — — EP disclosed
WO-2010147898-A2 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS, INC. (US) 2010-12-23 — — WO disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 — — 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 (2 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-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR HLA-DRB1, CD74, CHI3L1 ALDH1A1 952/4885GAA 3150/4885KDM4E 3275/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK ALDH1A1 4307/4885GAA 502/4885KDM4E 1205/4885

“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.

Send feedback