SCHEMBL4719960

SCHEMBL4719960

CCCOc1ccc(-c2nccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
NPC1 O15118 5/20 0.55
KDM4E B2RXH2 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.53
ADRB2 P07550 1/20 0.53
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LTA4H P09960 1/20 0.52
PDPK1 O15530 1/20 0.50
CYP2D6 P10635 4/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 2/20 0.47

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
SCHEMBL4724672 0.93 CYP2D6 (0.57) RAB9ASMN1; SMN2NPC1KDM4EL3MBTL1
SCHEMBL4720884 0.86 LOXL2 (0.56) RAB9ASMN1; SMN2NPC1KDM4ELOXL2
SCHEMBL29356666 0.85 LOXL2 (0.51) RAB9ASMN1; SMN2NPC1KDM4EL3MBTL1
SCHEMBL3072552 0.83 LOXL2 (0.53) RAB9ASMN1; SMN2NPC1KDM4ELOXL2
SCHEMBL6326389 0.83 LOXL2 (0.62) RAB9ASMN1; SMN2NPC1KDM4EL3MBTL1
SCHEMBL28229988 0.80 LTA4H (0.59) SMN1; SMN2KDM4ELOXL2ADRB2LTA4H
SCHEMBL468161 0.79 PDPK1 (0.57) RAB9ASMN1; SMN2NPC1KDM4ELOXL2
SCHEMBL28579042 0.78 PDPK1 (0.61) LOXL2ADRB2LTA4HPDPK1
SCHEMBL722198 0.78 PDPK1 (0.77) RAB9ALOXL2ADRB2PDPK1ALDH1A1
Hydrochloric Acid SCHEMBL27523094 0.77 PDPK1 (0.55) RAB9ASMN1; SMN2NPC1KDM4ELOXL2

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 RAB9A 2943/4885SMN1; SMN2 4511/4885NPC1 3867/4885

“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.