SCHEMBL4915519

SCHEMBL4915519

CCCCOc1[c]c2c(cc1)-c1ccccc1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
PDK2 Q15119 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP19A1 P11511 1/20 0.33
PTPN11 Q06124 1/20 0.33
GAA P10253 1/20 0.33
GSTA1 P08263 1/20 0.33
GSTP1 P09211 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL4916055 0.93 NPC1 (0.35) NPC1RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL4921196 0.87 MEN1 (0.38) NPC1RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL4765918 0.81 CYP1A2 (0.41) NPC1RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL215991 0.80 NPC1 (0.32) NPC1RAB9ASIGMAR1GABRPGABRD
SCHEMBL218359 0.79 KDM4E (0.37) NPC1RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL215716 0.77 NPC1 (0.36) NPC1RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL216506 0.75 NPC1 (0.35) NPC1RAB9ACYP2C9CYP2C19CYP1A2
SCHEMBL217121 0.75 ALDH1A1 (0.34) NPC1RAB9ACYP1A2KDM4EALDH1A1
SCHEMBL2972878 0.74 GPR3 (0.37) NPC1RAB9ACYP2C19CYP1A2SIGMAR1
SCHEMBL215259 0.74 GPR3 (0.37) NPC1RAB9ACYP2C19CYP1A2SIGMAR1

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 LTA4H 496/4885NPC1 4153/4885RAB9A 2647/4885

“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.