SCHEMBL1176092

SCHEMBL1176092

Cc1ccc(-c2nc(C3CC3)nc3sc(C(N)=O)c(N)c23)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
LIMK1 P53667 3/20 0.54
CDK8 P49336 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
IKBKB O14920 4/20 0.44
CHUK O15111 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
BTK Q06187 1/20 0.44
BRAF P15056 3/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 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
SCHEMBL3407986 0.85 ALDH1A1 (0.40) HPGDMAPTMEN1ALDH1A1GAA
SCHEMBL1176342 0.84 LIMK1 (0.60) HPGDMAPTMEN1ALDH1A1GAA
SCHEMBL1175961 0.84 EEF2K (0.56) HPGDMAPTMEN1ALDH1A1GAA
SCHEMBL1176327 0.82 IKBKB (0.57) HPGDMAPTMEN1ALDH1A1KMT2A
SCHEMBL1176017 0.81 LIMK1 (0.60) HPGDMAPTMEN1ALDH1A1GAA
SCHEMBL2132227 0.81 LIMK1 (0.56) HPGDMAPTMEN1ALDH1A1GAA
SCHEMBL1176597 0.81 LIMK1 (0.59) HPGDMAPTMEN1ALDH1A1GAA
SCHEMBL1176165 0.81 LIMK1 (0.56) HPGDMAPTMEN1ALDH1A1GAA
SCHEMBL1176255 0.81 IKBKB (0.60) MAPTALDH1A1LIMK1CDK8CDK19
SCHEMBL1175976 0.80 LIMK1 (0.55) HPGDMAPTMEN1ALDH1A1GAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015724-A Thienopyrimidines MERCK PATENT GMBH 2011-04-13 CN claimed
US-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US claimed
CN-102015724-A Thienopyrimidines MERCK PATENT GMBH 2011-04-13 CN 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-2009124653-A2 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2009-10-15 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 (1 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 HPGD 872/4885MAPT 3766/4885MEN1 2849/4885

“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.