SCHEMBL1176165

SCHEMBL1176165

CSc1nc(-c2ccc(C)o2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.56
HPGD P15428 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
LHCGR P22888 7/20 0.46
IKBKB O14920 8/20 0.45
CHUK O15111 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
BTK Q06187 1/20 0.45
TSHR P16473 1/20 0.43

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
SCHEMBL2131565 0.91 LHCGR (0.46) LIMK1HPGDMEN1ALDH1A1GAA
SCHEMBL2132406 0.86 KDM4E (0.50) LIMK1HPGDMEN1ALDH1A1GAA
SCHEMBL1176342 0.86 LIMK1 (0.60) LIMK1HPGDMEN1ALDH1A1GAA
SCHEMBL3411178 0.84 LHCGR (0.40) LIMK1HPGDMEN1ALDH1A1GAA
SCHEMBL1176017 0.83 LIMK1 (0.60) LIMK1HPGDMEN1ALDH1A1GAA
SCHEMBL1176006 0.82 IKBKB (0.61) LIMK1HPGDMEN1ALDH1A1MAPT
SCHEMBL2132227 0.82 LIMK1 (0.56) LIMK1HPGDMEN1ALDH1A1GAA
SCHEMBL1176597 0.82 LIMK1 (0.59) LIMK1HPGDMEN1ALDH1A1GAA
SCHEMBL1175976 0.81 LIMK1 (0.55) LIMK1HPGDMEN1ALDH1A1GAA
SCHEMBL1175603 0.81 IKBKB (0.64) LIMK1ALDH1A1MAPTKMT2ALHCGR

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
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US claimed
EP-2445916-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS Merck Patent GmbH (DE) 2012-05-02 EP disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-04-26 US disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US disclosed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US disclosed
WO-2010149257-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GMBH (DE) 2010-12-29 WO disclosed
WO-2010149257-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS MERCK PATENT GMBH (DE) 2010-12-29 WO 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-20110028472-A1 THIENOPYRIMIDINES TGFBR1, TYMP, TGFBR2 LIMK1 1626/4885HPGD 872/4885MEN1 2849/4885
US-20120101095-A1 ALKOXY-THIENOPYRIMIDINES AS TGF-BETA RECEPTOR KINASE MODULATORS TGFBR1, TGFBR2, TGFB1 LIMK1 1506/4885HPGD 1700/4885MEN1 3091/4885

“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.