SCHEMBL4724591

SCHEMBL4724591

COc1ccc2ccccc2c1-c1[c]nn[nH]1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
NISCH Q9Y2I1 1/20 0.52
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NQO1 P15559 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
ITK Q08881 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4723618 0.84 ALOX5 (0.53) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4765490 0.82 MEN1 (0.44) MAPTKMT2AMEN1TP53
SCHEMBL4720100 0.81 GAA (0.50) TP53
SCHEMBL29428410 0.78 MAPT (1.00) MAPTNISCHKMT2AMEN1ALDH1A1
SCHEMBL998182 0.78 MAPT (1.00) MAPTNISCHKMT2AMEN1ALDH1A1
SCHEMBL31336201 0.77 MAPT (0.88) MAPTNISCHKMT2AMEN1ALDH1A1
SCHEMBL22534454 0.77 MAPT (0.88) MAPTNISCHKMT2AMEN1ALDH1A1
SCHEMBL4720179 0.76 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL4723433 0.75 MAPT (0.60) MAPTNISCHKMT2AMEN1ALDH1A1
SCHEMBL26737425 0.74 MAPT (0.81) MAPTNISCHKMT2AMEN1ALDH1A1

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 MAPT 4361/4885NISCH 699/4885KMT2A 3345/4885

“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.