SCHEMBL2127740

SCHEMBL2127740

COc1cc(-c2[nH]c3c(C#N)cnn3c2Nc2ccc(CNC(=O)c3ccc(C)nc3)cc2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL2125749 0.93 ROCK2 (0.40) ROCK2ROCK1SMN1; SMN2PKMALDH1A1
SCHEMBL2122802 0.91 ROCK2 (0.38) ROCK2ROCK1SMN1; SMN2PKMALDH1A1
SCHEMBL2122690 0.89 LMNA (0.43) ROCK2ROCK1SMN1; SMN2PKMALDH1A1
SCHEMBL2126704 0.89 KDM4E (0.38) ROCK2ROCK1SMN1; SMN2PKMALDH1A1
SCHEMBL2123713 0.87 MEN1 (0.39) SMN1; SMN2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL2123839 0.87 IMPDH2 (0.38) ROCK2ROCK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2127298 0.86 LMNA (0.42) SMN1; SMN2HPGDLMNAKDM4EPOLB
SCHEMBL2121694 0.85 KCNH2 (0.44) SMN1; SMN2ALDH1A1HPGDHSD17B10HDAC1
SCHEMBL2123560 0.83 AURKA (0.42) ROCK2ROCK1ALDH1A1HPGDLMNA
SCHEMBL2123104 0.82 DGAT2 (0.39) ROCK2ROCK1SMN1; SMN2ALDH1A1LMNA

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
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 1194/4885SMN1; SMN2 4596/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK ROCK2 334/4885ROCK1 375/4885SMN1; SMN2 2568/4885

“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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