SCHEMBL5128977

SCHEMBL5128977

Cc1sc2nc(-n3cccn3)nc(NCCc3ccc4c(c3)OCO4)c2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.40
NOS2 P35228 3/20 0.38
PDE5A O76074 1/20 0.38
CHRM4 P08173 1/20 0.37
FLT1 P17948 3/20 0.37
KDR P35968 3/20 0.37
NOS1 P29475 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5124435 0.92 CHRM4 (0.41) PDE5ACHRM4ALDH1A1HSD17B10KDM4E
SCHEMBL5128236 0.92 SMN1; SMN2 (0.41) BCDIN3DNOS2PDE5AFLT1KDR
SCHEMBL5124141 0.87 BCDIN3D (0.41) BCDIN3DNOS2PDE5ACHRM4FLT1
SCHEMBL5127800 0.86 CHRM4 (0.42) PDE5ACHRM4ALDH1A1KDM4EMAPT
SCHEMBL5128996 0.86 NOS2 (0.53) NOS2NOS1
SCHEMBL5122439 0.85 PDE5A (0.39) BCDIN3DNOS2PDE5ACHRM4FLT1
SCHEMBL5128237 0.85 BCDIN3D (0.41) BCDIN3DNOS2PDE5AFLT1KDR
SCHEMBL5118165 0.84 BCDIN3D (0.45) BCDIN3DNOS2PDE5AFLT1KDR
SCHEMBL5122412 0.84 BCDIN3D (0.43) BCDIN3DNOS2PDE5AFLT1KDR
SCHEMBL5781513 0.83 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EMAPTHPGD

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 BCDIN3D 1161/4885NOS2 724/4885PDE5A 2002/4885

“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.