SCHEMBL5129649

SCHEMBL5129649

CCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-n3cccn3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
CHRM4 P08173 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
PRKCI P41743 3/20 0.38
ALDH1A1 P00352 3/20 0.37
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
PPP1CA P62136 1/20 0.37
PDE5A O76074 2/20 0.37
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL5123207 0.95 MAPT (0.43) ICAM1SELEVCAM1NPSR1MAPT
SCHEMBL5122542 0.90 CHRM4 (0.42) CHRM4NPSR1MAPTALDH1A1USP1
SCHEMBL5121505 0.88 CHRM4 (0.39) CHRM4NPSR1MAPTALDH1A1USP1
SCHEMBL5129067 0.88 USP1 (0.43) CHRM4NPSR1MAPTALDH1A1USP1
SCHEMBL5129723 0.86 ICAM1 (0.41) ICAM1SELEVCAM1CHRM4NPSR1
SCHEMBL5128132 0.86 ICAM1 (0.42) ICAM1SELEVCAM1MAPTPRKCI
SCHEMBL5116225 0.86 BCDIN3D (0.44) NPSR1MAPTPRKCIALDH1A1USP1
SCHEMBL5123263 0.85 ICAM1 (0.47) ICAM1SELEVCAM1CHRM4NPSR1
SCHEMBL5122004 0.85 ICAM1 (0.56) ICAM1SELEVCAM1PRKCIALDH1A1
SCHEMBL5123228 0.85 NOS2 (0.49) PDE5A

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 7 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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN 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 ICAM1 1914/4885SELE 1976/4885VCAM1 1766/4885

“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.