SCHEMBL5121702

SCHEMBL5121702

FC(F)(F)c1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 10/20 0.45
WDR48 Q8TAF3 10/20 0.45
PDE5A O76074 3/20 0.42
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL5130392 0.92 USP1 (0.43) USP1WDR48PDE5AALOX15POLB
SCHEMBL5123231 0.90 PDE5A (0.41) PDE5ACYP1A2CYP2D6CYP2C19MAPT
SCHEMBL5118146 0.86 ICAM1 (0.57) PDE5AICAM1SELEVCAM1USP2
SCHEMBL5127391 0.86 USP1 (0.48) USP1WDR48HDAC4
SCHEMBL5130862 0.85 PDE5A (0.48) PDE5APOLBMAPTMEN1KMT2A
SCHEMBL5129162 0.85 PDE5A (0.43) USP1WDR48PDE5AICAM1SELE
SCHEMBL5118670 0.85 PDE5A (0.43) USP1WDR48PDE5AICAM1SELE
SCHEMBL5115557 0.84 USP1 (0.45) USP1WDR48PDE5ACYP1A2CYP3A4
SCHEMBL5121134 0.84 USP1 (0.51) USP1WDR48PDE5AUSP2CYP1A2
SCHEMBL5122390 0.84 MEN1 (0.45) PDE5AMAPTMEN1KMT2ANPC1

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 USP1 2251/4885WDR48 1634/4885PDE5A 2002/4885

“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.