SCHEMBL5649233

SCHEMBL5649233

Cc1nc(C2CCCN2)sc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
CHRM2 P08172 5/20 0.38
CHRM5 P08912 5/20 0.38
CHRM3 P20309 5/20 0.38
CHRM4 P08173 4/20 0.38
CHRM1 P11229 4/20 0.38
TAAR1 Q96RJ0 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ROCK1 Q13464 1/20 0.33
DBF4 Q9UBU7 1/20 0.33

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
SCHEMBL5649230 1.00 MKNK1 (0.40) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL17069032 0.74 CHRM2 (0.40) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL20489504 0.72 MKNK1 (0.36) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL20489506 0.72 MKNK1 (0.36) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL28065023 0.71 BAZ2A (0.41) MKNK1NPC1RAB9ASMN1; SMN2CDC7
SCHEMBL165557 0.71 BAZ2A (0.43) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL3508711 0.71 BAZ2A (0.43) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL20187315 0.71 CHRM2 (0.38) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL165556 0.71 BAZ2A (0.43) MKNK1CHRM2CHRM5CHRM3CHRM4
SCHEMBL20320485 0.71 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 US disclosed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 MKNK1 3090/4885CHRM2 4576/4885CHRM5 3869/4885

“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.