SCHEMBL6288670

SCHEMBL6288670

COC(=O)c1sc(NC(C)=O)nc1-c1cccc(C#N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RORC P51449 3/20 0.52
DYRK1A Q13627 1/20 0.51
ADORA2A P29274 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADORA1 P30542 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
PIK3CG P48736 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 3/20 0.43

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
SCHEMBL6283502 0.83 ADORA2A (0.45) RORCADORA2AADORA3ADORA1ADORA2B
SCHEMBL24227732 0.82 ADORA2A (0.50) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6282306 0.81 TRPM8 (0.57) RORCADORA2AADORA3ADORA1ALDH1A1
SCHEMBL6279541 0.79 DHODH (0.55) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL48538 0.78 PIK3CG (0.61) DYRK1AADORA2AADORA3ADORA1PIK3CG
SCHEMBL6286606 0.76 DHODH (0.75) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL24227575 0.76 DYRK1A (0.45) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6279525 0.74 DHODH (0.55) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL1919770 0.73 FNTA (0.55) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6288104 0.72 ALDH1A1 (0.69) KMT2AMEN1CYP1A2CYP2C9CYP2C19

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-6962935-B2 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors PRUITT JAMES RUSSELL (US) 2004-04-15 US disclosed
US-6569874-B1 Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed
EP-0946528-B1 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-04-09 EP disclosed
US-6187797-B1 ANTICOAGULANTS; TRYPSINE-LIKE SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-02-13 US disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors F12, XDH, F2 KMT2A 3161/4885MEN1 1939/4885CYP1A2 95/4885

“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.