SCHEMBL5118399

SCHEMBL5118399

CCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccccn3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
VCAM1 P19320 1/20 0.46
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE5A O76074 2/20 0.44
USP1 O94782 1/20 0.44
WDR48 Q8TAF3 1/20 0.44
HIF1A Q16665 5/20 0.43
PRKCI P41743 3/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL5118812 0.94 USP1 (0.50) ICAM1SELEVCAM1NPC1MEN1
SCHEMBL7611754 0.91 METAP1 (0.47) ICAM1SELEVCAM1NPC1MEN1
SCHEMBL5124391 0.91 MEN1 (0.45) NPC1MEN1KMT2APDE5AUSP1
SCHEMBL7509495 0.90 USP1 (0.46) ICAM1SELEVCAM1NPC1MEN1
SCHEMBL5128120 0.89 MEN1 (0.45) NPC1MEN1KMT2APDE5AUSP1
SCHEMBL5128755 0.88 USP1 (0.50) NPC1MEN1KMT2APDE5AUSP1
SCHEMBL5130883 0.88 PRKCI (0.44) ICAM1SELEVCAM1PDE5AUSP1
SCHEMBL5815313 0.86 HIF1A (0.41) NPC1MEN1KMT2APDE5AUSP1
SCHEMBL5122329 0.86 ICAM1 (0.48) ICAM1SELEVCAM1NPC1MEN1
SCHEMBL5129614 0.85 METAP1 (0.47) NPC1KMT2APDE5AUSP1WDR48

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 6 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-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.