SCHEMBL2126704

SCHEMBL2126704

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAP3K11 Q16584 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MET P08581 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PDE2A O00408 1/20 0.35

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
SCHEMBL2123839 0.93 IMPDH2 (0.38) KDM4ETP53MAP3K11SMN1; SMN2ALDH1A1
SCHEMBL2122690 0.89 LMNA (0.43) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2127740 0.89 ROCK2 (0.40) KDM4ESMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL2123713 0.87 MEN1 (0.39) KDM4EMAP3K11SMN1; SMN2ALDH1A1LMNA
SCHEMBL2125749 0.87 ROCK2 (0.40) KDM4ESMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL2121694 0.87 KCNH2 (0.44) KDM4EMAP3K11SMN1; SMN2ALDH1A1KMT2A
SCHEMBL18686151 0.86 LMNA (0.39) SMN1; SMN2ALDH1A1LMNAMETKDR
SCHEMBL2124306 0.86 CSNK2A1 (0.37) KDM4EMAPK1BRD4CSNK2A1IMPDH2
SCHEMBL2127298 0.86 LMNA (0.42) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2124785 0.85 BRAF (0.46) ALDH1A1LMNAMETKDRMEN1

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
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
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 KDM4E 3275/4885TP53 714/4885MAP3K11 4122/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK KDM4E 1205/4885TP53 639/4885MAP3K11 189/4885

“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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