SCHEMBL5123695

SCHEMBL5123695

Cc1cc2c(NCc3ccc(F)cc3)nc(-n3cncn3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
CHRM4 P08173 1/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE10A Q9Y233 2/20 0.38
FLT3 P36888 2/20 0.38
USP10 Q14694 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
USP13 Q92995 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
SRC P12931 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7617169 0.89 EGFR (0.44) HRH4PDE10A
SCHEMBL5122122 0.88 ICAM1 (0.47) HRH4CHRM4TP53KDM4ETSHR
SCHEMBL5116245 0.88 HRH4 (0.41) HRH4CHRM4TP53KDM4ETSHR
SCHEMBL5123483 0.86 PDE10A (0.37) PDE10A
SCHEMBL5130913 0.86 KDM4E (0.44) HRH4CHRM4TP53KDM4ETSHR
SCHEMBL5127962 0.85 FLT3 (0.40) HRH4CHRM4TP53MAPK1FLT3
SCHEMBL5125177 0.84 NPC1 (0.49) MEN1KMT2AAPP
SCHEMBL5115020 0.83 PDE5A (0.51) CHRM4
SCHEMBL5121860 0.83 HTT (0.40) HRH4TP53KDM4ETSHRMAPK1
SCHEMBL5118869 0.82 CHRM4 (0.43) CHRM4TP53KDM4ETSHRMAPK1

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-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 HRH4 1479/4885CHRM4 4573/4885TP53 344/4885

“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.