SCHEMBL5116315

SCHEMBL5116315

Cc1cc2c(NCc3ccc(F)cc3)nc(-n3ccnc3C)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.40
HRH4 Q9H3N8 1/20 0.39
CHRM4 P08173 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
FLT3 P36888 2/20 0.37
CTNNB1 P35222 3/20 0.37
TCF7L2 Q9NQB0 3/20 0.37
USP10 Q14694 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
USP13 Q92995 1/20 0.37
TP53 P04637 1/20 0.36
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
SRC P12931 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5123800 0.90 HRH4 (0.41) NR3C2HRH4CHRM4FLT3CTNNB1
SCHEMBL7609413 0.90 EGFR (0.43) HRH4
SCHEMBL5118939 0.89 ICAM1 (0.45) NR3C2HRH4CHRM4ALDH1A1CYP2C9
SCHEMBL5116037 0.88 KDM4E (0.38) NR3C2HRH4CHRM4ALDH1A1HTT
SCHEMBL5116085 0.86 TRPV1 (0.37)
SCHEMBL5128720 0.86 HTT (0.38) NR3C2HRH4CHRM4ALDH1A1CYP2C9
SCHEMBL5117009 0.84 RAB9A (0.48) MEN1MAPTKMT2AAPP
SCHEMBL5116294 0.83 CHRM4 (0.42) CHRM4ALDH1A1MEN1LMNAMAPT
SCHEMBL7615358 0.83 PDE5A (0.44) ALDH1A1TP53MEN1LMNAMAPT
SCHEMBL5115020 0.82 PDE5A (0.51) CHRM4

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 6 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
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 NR3C2 3741/4885HRH4 1479/4885CHRM4 4573/4885

“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.