SCHEMBL4279540

SCHEMBL4279540

Cc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.56
F10 P00742 11/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4268856 0.93 F10 (0.49) KDRF10RAB9ANPC1ALOX15
SCHEMBL3898785 0.88 F10 (0.56) F10RAB9ANPC1ALOX15HTT
SCHEMBL14310534 0.88 F10 (0.53) KDRF10RAB9ANPC1ALOX15
SCHEMBL4274378 0.87 HTT (0.60) F10RAB9ANPC1ALOX15HTT
SCHEMBL13608665 0.86 F10 (0.54) F10RAB9ANPC1ALOX15HTT
SCHEMBL13608659 0.86 F10 (0.50) F10RAB9ANPC1ALOX15HTT
SCHEMBL4275046 0.81 F10 (0.44) F10RAB9ANPC1ALOX15HTT
SCHEMBL4269631 0.81 F10 (0.47) F10RAB9ANPC1ALOX15HTT
SCHEMBL4278938 0.80 IRAK4 (0.47) F10RAB9ANPC1
SCHEMBL4270000 0.77 F10 (0.44) F10RAB9ANPC1ALOX15HTT

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-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
EP-1644334-B1 ANTITHROMBOTIC ETHERS LILLY CO ELI (US) 2008-01-02 EP 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-20080108594-A1 Antithrombotic Ethers F11, SERPINC1, F2 KDR 1396/4885F10 16/4885RAB9A 2540/4885

“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.