SCHEMBL5122893

SCHEMBL5122893

CCc1cc2c(NCc3ccccc3)nc(-c3ccncc3)nc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 6/20 0.69
PDE5A O76074 6/20 0.60
PTGS1 P23219 2/20 0.60
TBXAS1 P24557 2/20 0.60
PTGS2 P35354 2/20 0.60
ICAM1 P05362 1/20 0.60
SELE P16581 1/20 0.60
VCAM1 P19320 1/20 0.60
ADORA1 P30542 3/20 0.55
ADORA2A P29274 2/20 0.55
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
MEN1 O00255 2/20 0.49
GBA1 P04062 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5125278 0.90 PRKCI (0.68) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5120106 0.89 PRKCI (0.73) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5128029 0.88 PDE5A (0.62) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5113677 0.86 PDE5A (0.62) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL8184738 0.86 ICAM1 (0.56) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5116044 0.85 PRKCI (0.64) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5122213 0.84 ICAM1 (0.63) PRKCIPDE5AICAM1SELEVCAM1
SCHEMBL5129048 0.84 PRKCI (0.58) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5125553 0.84 PDE5A (0.62) PRKCIPDE5APTGS1TBXAS1PTGS2
SCHEMBL5813837 0.84 PRKCI (0.66) PRKCIPDE5APTGS1TBXAS1PTGS2

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 PRKCI 1513/4885PDE5A 2002/4885PTGS1 1420/4885

“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.