SCHEMBL5122004

SCHEMBL5122004

CCc1cc2c(NCc3ccccc3)nc(-n3cccn3)nc2s1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.56
SELE P16581 1/20 0.56
VCAM1 P19320 1/20 0.56
PRKCI P41743 3/20 0.42
PDE5A O76074 9/20 0.41
TBXAS1 P24557 3/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
EGFR P00533 1/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5123263 0.92 ICAM1 (0.47) ICAM1SELEVCAM1PRKCIMEN1
SCHEMBL7618703 0.87 PDE5A (0.42) ICAM1SELEVCAM1PDE5ATBXAS1
SCHEMBL5128132 0.87 ICAM1 (0.42) ICAM1SELEVCAM1PRKCIMEN1
SCHEMBL5130525 0.86 MEN1 (0.45) ICAM1SELEVCAM1PRKCIPDE5A
SCHEMBL5115436 0.85 ICAM1 (0.59) ICAM1SELEVCAM1PRKCIPDE5A
SCHEMBL5128618 0.85 PDE5A (0.46) ICAM1SELEVCAM1PDE5APDE3B
SCHEMBL5129478 0.85 PDE5A (0.45) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5123207 0.85 MAPT (0.43) ICAM1SELEVCAM1PDE5AMEN1
SCHEMBL5129649 0.85 ICAM1 (0.40) ICAM1SELEVCAM1PRKCIPDE5A
SCHEMBL5131058 0.84 USP1 (0.42) ICAM1SELEVCAM1PDE5ATBXAS1

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 9 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
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 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.