SCHEMBL2124457

SCHEMBL2124457

COc1cc(Nc2c(-c3ccc(C(N)=O)cc3)[nH]c3c(C#N)cnn23)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ MMP10 P09238 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ SYK P43405 3/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PRKCQ Q04759 1/20 0.36
▸ PDE4B Q07343 3/20 0.36
▸ BUB1 O43683 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ CSF1R P07333 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL2122304 0.93 CSNK2A1 (0.43) RAF1BRAFEGFRERBB2CSNK2A1
SCHEMBL2124704 0.90 RAF1 (0.48) RAF1BRAFEGFRERBB2CSNK2A1
SCHEMBL2124161 0.88 PRKCQ (0.46) EGFRERBB2CSNK2A1ROCK2PRKCQ
SCHEMBL2122787 0.86 PRKCQ (0.38) EGFRERBB2CSNK2A1ROCK2SYK
SCHEMBL2122015 0.86 CSNK2A1 (0.40) BRAFEGFRERBB2CSNK2A1ROCK2
SCHEMBL2124351 0.86 PRKCQ (0.39) EGFRERBB2CSNK2A1ROCK2SYK
SCHEMBL2125701 0.84 CSNK2A1 (0.44) EGFRERBB2CSNK2A1PRKCQ
SCHEMBL2125606 0.83 CSNK2A1 (0.45) EGFRERBB2CSNK2A1PRKCQ
SCHEMBL18686156 0.83 MPO (0.39) EGFRERBB2CSNK2A1ROCK2PRKCQ
SCHEMBL2125445 0.83 PRKCQ (0.38) EGFRERBB2CSNK2A1ROCK2PRKCQ

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 10 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
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 RAF1 4404/4885BRAF 4825/4885MMP10 454/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK RAF1 309/4885BRAF 280/4885MMP10 2989/4885

“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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