SCHEMBL5129010

SCHEMBL5129010

Cc1nccn1-c1nc(NCCc2ccc3c(c2)OCO3)c2cc(C(F)(F)F)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 4/20 0.43
KDR P35968 3/20 0.43
BCDIN3D Q7Z5W3 1/20 0.40
PDE5A O76074 1/20 0.38
NOS2 P35228 4/20 0.37
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
NOS1 P29475 1/20 0.35
FAAH O00519 1/20 0.34
IDO1 P14902 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
PPP1CA P62136 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5124124 0.92 USP1 (0.44) FLT1KDRPDE5AUSP1WDR48
SCHEMBL5123608 0.89 BCDIN3D (0.42) FLT1KDRBCDIN3DPDE5ANOS2
SCHEMBL5130564 0.89 BCDIN3D (0.43) FLT1KDRBCDIN3DPDE5ANOS2
SCHEMBL5124067 0.88 BCDIN3D (0.42) FLT1KDRBCDIN3DPDE5ANOS2
SCHEMBL5118611 0.87 CHRM4 (0.40) PDE5AUSP1WDR48USP2ALDH1A1
SCHEMBL5118565 0.84 NOS2 (0.49) FLT1KDRPDE5ANOS2NOS1
SCHEMBL5124155 0.84 BCDIN3D (0.39) FLT1KDRBCDIN3DPDE5ANOS2
SCHEMBL7612643 0.84 BCDIN3D (0.43) FLT1KDRBCDIN3DPDE5ANOS2
SCHEMBL5124576 0.84 FLT1 (0.41) FLT1KDRBCDIN3DPDE5ANOS2
SCHEMBL5124186 0.82 SMN1; SMN2 (0.41) FLT1KDRBCDIN3DPDE5ANOS2

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 8 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
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO 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 FLT1 18/4885KDR 34/4885BCDIN3D 1161/4885

“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.