SCHEMBL2122770

SCHEMBL2122770

COc1cc(-c2[nH]c3c(C#N)cnn3c2Nc2ccc(F)c(OC3CCCC3)c2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 5/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ NUAK1 O60285 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.35
▸ PRKCQ Q04759 2/20 0.34
▸ ERBB2 P04626 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ TRPC5 Q9UL62 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ ABL2 P42684 1/20 0.33

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
SCHEMBL2124742 0.94 TBK1 (0.42) TBK1NUAK1CSNK2A1PRKCQERBB2
SCHEMBL2125584 0.94 TBK1 (0.41) TBK1NUAK1CSNK2A1PRKCQ
SCHEMBL2127376 0.92 ROCK2 (0.40) TBK1ROCK2CSNK2A1PRKCQ
SCHEMBL2122015 0.90 CSNK2A1 (0.40) ROCK2CSNK2A1PRKCQERBB2EGFR
SCHEMBL2122644 0.88 PRKCQ (0.43) TBK1CSNK2A1PRKCQJAK2
SCHEMBL2126571 0.86 CSNK2A1 (0.38) ROCK2CSNK2A1PRKCQERBB2EGFR
SCHEMBL2121914 0.85 P2RX3 (0.38) ROCK2CSNK2A1PRKCQERBB2EGFR
SCHEMBL2122928 0.85 CSNK2A1 (0.37) ROCK2CSNK2A1PRKCQERBB2EGFR
SCHEMBL2122646 0.85 EGFR (0.39) ROCK2CSNK2A1PRKCQERBB2EGFR
SCHEMBL2123771 0.85 LMNA (0.40) CSNK2A1PRKCQERBB2EGFRCDK2

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 11 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
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 TBK1 4176/4885ROCK2 1543/4885NUAK1 4722/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK TBK1 21/4885ROCK2 334/4885NUAK1 682/4885

“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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