SCHEMBL4721337

SCHEMBL4721337

CCCCOc1ccc(-c2conn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.60
CYP2D6 P10635 9/20 0.60
CYP2C9 P11712 9/20 0.60
CYP2C19 P33261 9/20 0.60
CYP1A2 P05177 6/20 0.60
CYP3A4 P08684 3/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4720430 0.94 CYP19A1 (0.53) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4723818 0.87 NPC1 (0.50) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL27607389 0.79 HSD11B1 (0.46) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL4723625 0.78 ENPP3 (0.50) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL28271180 0.76 ENPP3 (0.31)
SCHEMBL5583851 0.74 CYP2D6 (0.76) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL9151170 0.74 CYP2D6 (0.76) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4724249 0.72 CYP19A1 (0.56) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL15060978 0.72 CYP2D6 (0.57) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4922573 0.72 CYP19A1 (0.39) CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2

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 CYP19A1 1796/4885CYP2D6 112/4885CYP2C9 303/4885

“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.