SCHEMBL9922709

SCHEMBL9922709

O=C(Nc1ccc(-n2ccc3cc(NCCCN4CCCCC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.37
KMT2A Q03164 1/20 0.37
FBP1 P09467 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR4 Q13639 1/20 0.36
HRH3 Q9Y5N1 9/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35

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
SCHEMBL9922918 0.99 P2RY12 (0.37) P2RY12KMT2AFBP1ADRA2AADRA2B
SCHEMBL9922925 0.96 P2RY12 (0.39) P2RY12FBP1ADRA2AADRA2BKCNH2
SCHEMBL12161248 0.95 P2RY12 (0.39) P2RY12KMT2AFBP1ADRA2AADRA2B
SCHEMBL9922917 0.93 KMT2A (0.46) P2RY12KMT2AFBP1PSEN1PSEN2
SCHEMBL14228570 0.93 HRH3 (0.39) ADRA2AADRA2BKCNH2HTR4HRH3
SCHEMBL14228569 0.92 HRH3 (0.38) ADRA2AADRA2BKCNH2HTR4HRH3
SCHEMBL9923141 0.90 P2RY12 (0.43) P2RY12KMT2AKCNH2HRH3PSEN1
SCHEMBL9923143 0.89 P2RY12 (0.43) P2RY12KMT2AKCNH2HRH3PSEN1
SCHEMBL9923193 0.89 P2RY12 (0.37) P2RY12KMT2AFBP1ADRA2AADRA2B
SCHEMBL9922926 0.89 KMT2A (0.42) P2RY12KMT2AFBP1KCNH2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 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 (2 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 19/4885KMT2A 3009/4885FBP1 1584/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885KMT2A 3023/4885FBP1 1579/4885

“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.