SCHEMBL2125163

SCHEMBL2125163

COc1cc(-c2nc3c(C#N)c[nH]n3c2Nc2ccc(CNC(=O)c3ccc(C#N)cc3)cc2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 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
SCHEMBL2124557 0.92 ROCK2 (0.44) ROCK2ROCK1HDAC1HDAC6ALDH1A1
SCHEMBL2123772 0.90 KDM5A (0.41) ROCK2ROCK1HDAC1HDAC6EGLN1
SCHEMBL2122844 0.88 KDM5A (0.41) ROCK2ROCK1HDAC1HDAC6ALDH1A1
SCHEMBL2123116 0.85 KDM5A (0.47) MAPTTP53KDM5A
SCHEMBL2122030 0.84 MAP3K11 (0.42) MAPTTP53KDM5A
SCHEMBL2126971 0.82 MAPT (0.41) MAPTTP53
SCHEMBL2125061 0.82 MAPT (0.41) ALDH1A1MAPTTP53DRD2
SCHEMBL2872219 0.78 MAPT (0.49) MAPTTP53KDM5A
SCHEMBL2126838 0.72 MAPT (0.47) SMN1; SMN2MAPTTP53KDM5A
SCHEMBL2123865 0.72 KDM5A (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD

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 ROCK2 1543/4885ROCK1 1194/4885HDAC1 1081/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK ROCK2 334/4885ROCK1 375/4885HDAC1 2585/4885

“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