SCHEMBL5124010

SCHEMBL5124010

Fc1ccc(CNc2nc(-c3cnccn3)nc3sc(C(F)(F)F)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
USP1 O94782 5/20 0.41
WDR48 Q8TAF3 5/20 0.41
POLB P06746 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PDE5A O76074 4/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP7 P55210 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5122873 0.92 ADORA2A (0.50) ALDH1A1HPGDUSP1WDR48ADORA2A
SCHEMBL5124090 0.89 USP1 (0.46) USP1WDR48ADORA2AADORA1USP2
SCHEMBL5121937 0.87 PRKCI (0.48) KDM4EALDH1A1HPGDPOLBADORA2A
SCHEMBL5118673 0.87 MEN1 (0.52) USP1WDR48PDE5AMEN1KMT2A
SCHEMBL5123250 0.86 MEN1 (0.43) ALDH1A1ADORA2AADORA1PDE5AMEN1
SCHEMBL5114968 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDPOLBADORA2A
SCHEMBL5124775 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDPOLBADORA2A
SCHEMBL5116070 0.85 USP1 (0.43) KDM4EUSP1WDR48ADORA2AADORA1
SCHEMBL5117960 0.85 USP1 (0.49) KDM4EALDH1A1HPGDUSP1WDR48
SCHEMBL5118875 0.84 POLB (0.61) ALDH1A1USP1WDR48POLBPDE5A

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 KDM4E 257/4885ALDH1A1 1055/4885HPGD 1381/4885

“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.