SCHEMBL4764096

SCHEMBL4764096

COc1ccccc1-c1[c]nncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
APP P05067 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
GAA P10253 3/20 0.39
TP53 P04637 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
METAP2 P50579 1/20 0.39
CYP1A2 P05177 3/20 0.39

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
SCHEMBL4721743 0.82 PDE5A (0.42) ALDH1A1HPGDCA1CA2KDM4E
SCHEMBL4721579 0.80 PDE5A (0.44) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL1971146 0.77 ALDH1A1 (0.44) ALDH1A1APPSMN1; SMN2HPGDCA12
SCHEMBL557931 0.77 PLAU (0.37) ALDH1A1SMN1; SMN2HPGDCA12CA1
SCHEMBL3990110 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL3993064 0.73 HSP90AA1 (0.35) CA12CA1CA2CA4CA7
SCHEMBL14896135 0.72 ALDH1A1 (0.43) ALDH1A1APPSMN1; SMN2HPGDCA12
SCHEMBL978671 0.70 ALDH1A1 (0.44) ALDH1A1APPSMN1; SMN2HPGDCA12
SCHEMBL15637368 0.70 CYP1A2 (0.43) ALDH1A1APPSMN1; SMN2HPGDCA12
SCHEMBL301996 0.70 CA1 (0.71) ALDH1A1APPSMN1; SMN2HPGDCA12

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 ALDH1A1 622/4885APP 3763/4885SMN1; 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.