SCHEMBL4720179

SCHEMBL4720179

COc1ccccc1-c1[c]nn[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 3/20 0.49
DCUN1D1 Q96GG9 2/20 0.47
ALPL P05186 1/20 0.46
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
METAP2 P50579 1/20 0.44
XDH P47989 1/20 0.43

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
SCHEMBL4767143 0.81 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL4724247 0.78 CYP1A2 (0.49) KDM4EGAA
SCHEMBL4724591 0.76 MAPT (0.62) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4720644 0.74 KDM4E (0.43) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2818809 0.74 IDO1 (0.44) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL29429633 0.71 CA1 (0.71) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL29788337 0.71 CA1 (0.71) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL301996 0.71 CA1 (0.71) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3058821 0.70 TRPA1 (0.43) ALDH1A1KMT2AKDM4EMAPTGAA
SCHEMBL23066466 0.70 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A

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-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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 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 ALDH1A1 622/4885HPGD 800/4885SMN1; SMN2 4511/4885

“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.