SCHEMBL1176328

SCHEMBL1176328

Cc1cccc(-c2nc(-c3ccccn3)nc3sc(C(N)=O)c(N)c23)n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.62
HTT P42858 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
LIMK1 P53667 7/20 0.46
CHUK O15111 2/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
BTK Q06187 1/20 0.46
KDM4E B2RXH2 4/20 0.43
CHRM4 P08173 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3411826 0.85 IKBKB (0.45) IKBKBKMT2AKDM4ECHRM4ALDH1A1
SCHEMBL1176204 0.83 BRAF (0.55) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL1176339 0.83 BRAF (0.53) IKBKBHTTNPC1RAB9AKMT2A
SCHEMBL12871391 0.83 IKBKB (0.57) IKBKBHTTNPC1RAB9AKMT2A
SCHEMBL1176616 0.81 IKBKB (0.57) IKBKBHTTNPC1RAB9AKMT2A
SCHEMBL2132343 0.81 IKBKB (0.50) IKBKBHTTNPC1RAB9AKMT2A
SCHEMBL1176726 0.80 IKBKB (0.49) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL2130627 0.80 IKBKB (0.49) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL12871395 0.79 IKBKB (0.50) IKBKBLIMK1CHUKPRKACAPRKACG
SCHEMBL1176329 0.78 IKBKB (0.58) IKBKBHTTNPC1RAB9AKMT2A

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 4 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
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

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 IKBKB 351/4885HTT 4492/4885NPC1 4466/4885

“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.