SCHEMBL4722641

SCHEMBL4722641

COc1cn[c]c(-c2cccc3ccccc23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
CYP11B2 P19099 6/20 0.36
CYP11B1 P15538 5/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.34
DHFR P00374 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL4724475 0.84 ENPP1 (0.39) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL4723379 0.82 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4723492 0.81 HTR1B (0.41) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4720897 0.76 KDM4E (0.41) KDM4ECYP11B2CYP11B1MAPTALDH1A1
SCHEMBL18812365 0.72 KDM4E (0.41) KDM4ECYP11B2CYP11B1MAPTALDH1A1
SCHEMBL9534117 0.69 ALDH1A1 (0.45) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4722076 0.69 GSK3B (0.43) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL5820464 0.69 HSD17B1 (0.51) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
Methoxymethane SCHEMBL15104847 0.68 ALDH1A1 (0.50) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL21630330 0.67 MEN1 (0.41) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2

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 KDM4E 2584/4885CYP11B2 2643/4885CYP11B1 2559/4885

“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.