SCHEMBL5116037

SCHEMBL5116037

Cc1nccn1-c1nc(NCc2ccc(F)cc2)c2cc(C(F)(F)F)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38
NR3C2 P08235 3/20 0.38
HRH4 Q9H3N8 1/20 0.36
CHRM4 P08173 1/20 0.36
CTNNB1 P35222 2/20 0.35
TCF7L2 Q9NQB0 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
USP10 Q14694 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
USP13 Q92995 1/20 0.34

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
SCHEMBL5115394 0.91 ICAM1 (0.41) USP1WDR48EGFRPTGS2
SCHEMBL5116315 0.88 NR3C2 (0.40) MEN1KMT2AHTTNR3C2HRH4
SCHEMBL5129284 0.88 USP1 (0.41) KDM4EMEN1KMT2AUSP1WDR48
SCHEMBL5118939 0.88 ICAM1 (0.45) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL5128173 0.87 TNF (0.41) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL5123800 0.87 HRH4 (0.41) MEN1KMT2ANR3C2HRH4CHRM4
SCHEMBL5118611 0.85 CHRM4 (0.40) KDM4EUSP1WDR48CHRM4ALDH1A1
SCHEMBL5124124 0.85 USP1 (0.44) KDM4EMEN1KMT2AUSP1WDR48
SCHEMBL5130691 0.84 PDE5A (0.44)
SCHEMBL5128720 0.83 HTT (0.38) KDM4EMEN1KMT2AHTTNR3C2

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 257/4885MEN1 696/4885KMT2A 388/4885

“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.