SCHEMBL2127312

SCHEMBL2127312

COc1ccc(Nc2c(-c3cccc(N4CCOCC4)c3)[nH]c3c(C#N)cnn23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TNIK Q9UKE5 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ CSNK2A1 P68400 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TBK1 Q9UHD2 6/20 0.41
▸ JAK2 O60674 3/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ RIPK2 O43353 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL2122419 0.92 TP53 (0.48) TP53GAATNIKKCNH2CSNK2A1
SCHEMBL2123840 0.84 KDM4E (0.47) TP53GAATNIKKCNH2ALDH1A1
SCHEMBL2124687 0.84 KDM4E (0.47) GAATNIKKCNH2ALDH1A1HPGD
SCHEMBL2125777 0.83 CSNK2A1 (0.46) CSNK2A1
SCHEMBL2125983 0.81 CSNK2A1 (0.42) TP53GAACSNK2A1ALDH1A1HPGD
SCHEMBL2123111 0.80 CSNK2A1 (0.47) CSNK2A1KDM4E
SCHEMBL2127798 0.80 MAP2K1 (0.48) TBK1FLT3CSF1R
SCHEMBL2121891 0.80 HSP90AA1 (0.47) CSNK2A1JAK2
SCHEMBL2125606 0.80 CSNK2A1 (0.45) CSNK2A1
SCHEMBL2125858 0.79 CSNK2A1 (0.42) TP53GAACSNK2A1ALDH1A1LMNA

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 TP53 714/4885GAA 3150/4885TNIK 3214/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK TP53 639/4885GAA 502/4885TNIK 143/4885

“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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