SCHEMBL5124230

SCHEMBL5124230

CCc1cc2c(NCc3ccc(OC)c(Cl)c3)nc(-c3ccno3)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.42
PRKCI P41743 3/20 0.41
BCDIN3D Q7Z5W3 2/20 0.41
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5122880 0.92 MEN1 (0.46) PRKCIICAM1SELEVCAM1MEN1
SCHEMBL5121947 0.91 PDE5A (0.43) PDE5ABCDIN3DMEN1KMT2A
SCHEMBL5122355 0.90 PDE5A (0.43) PDE5ABCDIN3DMEN1KMT2A
SCHEMBL5129789 0.90 PRKCI (0.45) PRKCIICAM1SELEVCAM1MEN1
SCHEMBL5118832 0.90 PDE5A (0.46) PDE5ABCDIN3D
SCHEMBL5116761 0.85 PDE5A (0.47) PDE5ABCDIN3D
SCHEMBL5118618 0.85 PRKCI (0.59) PDE5APRKCIBCDIN3DMEN1KMT2A
SCHEMBL5115451 0.84 MEN1 (0.46) PDE5AMEN1KMT2A
SCHEMBL5123252 0.84 PDE5A (0.46) PDE5AICAM1SELEVCAM1MEN1
SCHEMBL5127701 0.84 PRKCI (0.47) PRKCIICAM1SELEVCAM1MEN1

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 4 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
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 PDE5A 2002/4885PRKCI 1513/4885BCDIN3D 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.