SCHEMBL9922047

SCHEMBL9922047

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cn3)cc(C(=O)NCCN(C)C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 4/20 0.35
PDE7A Q13946 1/20 0.34
P2RY12 Q9H244 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CDK2 P24941 2/20 0.32
ATM Q13315 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CDK1 P06493 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
CHEK1 O14757 1/20 0.31
POLR1A O95602 1/20 0.30
ECE1 P42892 1/20 0.30
MUS81 Q96NY9 1/20 0.30

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
SCHEMBL12160952 0.94 P2RY12 (0.40) RPS6KB1PDE7AP2RY12JAK2JAK1
SCHEMBL9922224 0.93 P2RY12 (0.35) RPS6KB1PDE7AP2RY12JAK2JAK1
SCHEMBL14113601 0.89 P2RY12 (0.38) RPS6KB1P2RY12ATMALDH1A1SMN1; SMN2
SCHEMBL13638698 0.88 KIT (0.39) JAK2JAK1TYK2JAK3ATM
SCHEMBL9922633 0.86 SMN1; SMN2 (0.36) RPS6KB1P2RY12LMNASMN1; SMN2L3MBTL1
SCHEMBL9922283 0.86 P2RY12 (0.37) RPS6KB1P2RY12CDK2ATMALDH1A1
SCHEMBL9923106 0.85 P2RY12 (0.35) P2RY12NAMPT
SCHEMBL9922051 0.85 P2RY12 (0.38) P2RY12NAMPT
SCHEMBL9922463 0.83 P2RY12 (0.46) RPS6KB1P2RY12ATMALDH1A1LMNA
SCHEMBL9922048 0.83 P2RY12 (0.37) P2RY12ALDH1A1LMNASMN1; SMN2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 RPS6KB1 960/4885PDE7A 644/4885P2RY12 18/4885

“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.