SCHEMBL4766906

SCHEMBL4766906

CCCOc1ccc(-c2c[nH]nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.49
CYP2C9 P11712 7/20 0.49
CYP2C19 P33261 7/20 0.49
RAB9A P51151 8/20 0.48
CYP2D6 P10635 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
CYP1A2 P05177 6/20 0.48
NPC1 O15118 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL4724249 0.93 CYP19A1 (0.56) CYP19A1CYP2C9CYP2C19RAB9ACYP2D6
SCHEMBL4767146 0.86 ALDH1A1 (0.54) CYP2C9CYP2C19RAB9ACYP2D6SMN1; SMN2
SCHEMBL16790564 0.82 CYP19A1 (0.41) CYP19A1CYP2C9CYP2C19RAB9ACYP2D6
SCHEMBL9969487 0.81 CYP2D6 (0.42) CYP19A1CYP2C9CYP2C19RAB9ACYP2D6
SCHEMBL13078874 0.78 METAP2 (0.32) RAB9ASMN1; SMN2NPC1
SCHEMBL23457480 0.77 MTNR1A (0.57) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2200076 0.77 NPC1 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL16788848 0.76 CYP19A1 (0.37) CYP19A1CYP2C9CYP2C19RAB9ACYP2D6
SCHEMBL5612851 0.76 NISCH (0.42) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL17108413 0.75 CYP3A4 (0.63) CYP19A1CYP2C9CYP2C19RAB9ACYP2D6

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 1796/4885CYP2C9 303/4885CYP2C19 195/4885

“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.