SCHEMBL2123772

SCHEMBL2123772

COc1cc(-c2nc3c(C#N)c[nH]n3c2Nc2ccc(CNC(=O)c3ccc(=O)[nH]c3)cc2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ PDE2A O00408 1/20 0.36

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
SCHEMBL2125163 0.90 ROCK2 (0.48) KDM5AROCK2ROCK1HDAC1HDAC6
SCHEMBL2124557 0.90 ROCK2 (0.44) ROCK2ROCK1HDAC1HDAC6SMN1; SMN2
SCHEMBL2122844 0.86 KDM5A (0.41) KDM5AROCK2ROCK1HDAC1HDAC6
SCHEMBL2123116 0.83 KDM5A (0.47) KDM5AMAPTTP53
SCHEMBL2122030 0.82 MAP3K11 (0.42) KDM5AMAPTTP53
SCHEMBL2123090 0.82 ALDH1A1 (0.45) KDM5AROCK2HDAC1HDAC6SMN1; SMN2
SCHEMBL2125061 0.81 MAPT (0.41) ALDH1A1MAPTTP53
SCHEMBL2126971 0.81 MAPT (0.41) MAPTTP53
SCHEMBL2872219 0.73 MAPT (0.49) KDM5AMAPTTP53
SCHEMBL2126838 0.71 MAPT (0.47) KDM5ASMN1; SMN2MAPTTP53

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 14 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
EP-2827890-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR The University of Queensland (AU) 2015-01-28 — — EP disclosed
WO-2013138871-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2013-09-26 — — WO 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 KDM5A 3173/4885ROCK2 1543/4885ROCK1 1194/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK KDM5A 1592/4885ROCK2 334/4885ROCK1 375/4885

“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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