SCHEMBL2123840

SCHEMBL2123840

COc1cc(Nc2c(-c3ccc(N4CCOCC4)cc3)[nH]c3c(C#N)cnn23)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TBK1 Q9UHD2 4/20 0.45
▸ TGFBR1 P36897 2/20 0.45
▸ ACVR1 Q04771 2/20 0.45
▸ TNIK Q9UKE5 1/20 0.43
▸ ZAP70 P43403 1/20 0.43
▸ SRC P12931 6/20 0.42
▸ ACVR1B P36896 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL2124687 0.93 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL2122419 0.92 TP53 (0.48) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL2127312 0.84 TP53 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2124727 0.84 SRC (0.44) SRC
SCHEMBL2122792 0.83 TBK1 (0.40) KDM4EALDH1A1HPGDMAPTTBK1
SCHEMBL2124704 0.81 RAF1 (0.48) MAPTTBK1SRC
SCHEMBL2123485 0.80 PRKCQ (0.45) SRC
SCHEMBL2123111 0.80 CSNK2A1 (0.47) KDM4ETSHRSRC
SCHEMBL2125399 0.79 SRC (0.39) SRC
SCHEMBL2123670 0.79 SRC (0.41) SRC

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 KDM4E 3275/4885ALDH1A1 952/4885HPGD 571/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK KDM4E 1205/4885ALDH1A1 4307/4885HPGD 3272/4885

“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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