SCHEMBL4720896

SCHEMBL4720896

COc1ccccc1-c1[c]nccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HTR7 P34969 1/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 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
SCHEMBL4720231 0.83 PDE5A (0.43) ALDH1A1KDM4EHSD17B10PDE5AHPGD
SCHEMBL4720650 0.81 PDE5A (0.45) ALDH1A1HTR7KDM4ESMN1; SMN2HSD17B10
SCHEMBL4723803 0.80 CYP1A2 (0.52) HTR7KDM4ECYP1A2CYP2D6PDE5A
SCHEMBL22261801 0.77 NPC1 (0.38) ALDH1A1SMN1; SMN2HSD17B10GAANPC1
SCHEMBL1967614 0.76 ALDH1A1 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL1971146 0.74 ALDH1A1 (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL22261800 0.73 NOTUM (0.38) ALDH1A1KDM4ENPC1DCUN1D1
SCHEMBL4722076 0.70 GSK3B (0.43) GSK3BCDK5CDK5R1ALDH1A1KDM4E
SCHEMBL16790012 0.70 CYP1A2 (0.62) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL301996 0.70 CA1 (0.71) ALDH1A1HTR7KDM4ESMN1; SMN2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 CCNB2 843/4885CDK1 451/4885CCNB1 457/4885

“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.