SCHEMBL5124775

SCHEMBL5124775

Cc1cc2c(NCc3ccc(F)cc3)nc(-c3cnccn3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE5A O76074 5/20 0.41
WNT3A P56704 1/20 0.40
FLT3 P36888 1/20 0.40
CHRM4 P08173 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TERT O14746 1/20 0.38
CASP6 P55212 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL5117720 0.91 ADORA2A (0.53) KDM4EALDH1A1HPGDPOLBADORA2A
SCHEMBL5121937 0.89 PRKCI (0.48) KDM4EALDH1A1HPGDPOLBADORA2A
SCHEMBL5114968 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDPOLBADORA2A
SCHEMBL5128521 0.87 ADORA2A (0.49) ADORA2AADORA1WNT3A
SCHEMBL5115640 0.86 MEN1 (0.54) PDE5AMEN1KMT2ALMNAMAPT
SCHEMBL5124010 0.86 KDM4E (0.44) KDM4EALDH1A1HPGDPOLBADORA2A
SCHEMBL5122834 0.85 NPC1 (0.48) POLBADORA2AADORA1PDE5AMEN1
SCHEMBL5122159 0.84 MAPT (0.50) KDM4EALDH1A1HPGDPOLBADORA2A
SCHEMBL5116209 0.84 MAPT (0.44) KDM4EHPGDADORA2AADORA1PDE5A
SCHEMBL5122989 0.83 POLB (0.64) KDM4EALDH1A1POLBPDE5AMEN1

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.