SCHEMBL479090

SCHEMBL479090

COC(=O)Nc1ccc(-c2cc(CCN(NC(=O)c3ccccc3)C(=O)OCc3ccccc3)n[nH]c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.43
KDR P35968 3/20 0.43
FLT3 P36888 3/20 0.43
F11 P03951 4/20 0.40
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
AURKA O14965 1/20 0.37
HDAC1 Q13547 1/20 0.37
PARP1 P09874 1/20 0.36
DNMT1 P26358 1/20 0.35
DNMT3A Q9Y6K1 1/20 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
SCHEMBL479190 0.87 ROCK2 (0.41) FLT1KDRFLT3F11ROCK2
SCHEMBL479089 0.76 F11 (0.50) FLT1KDRFLT3F11ROCK2
SCHEMBL478912 0.75 F11 (0.44) FLT1KDRFLT3F11ROCK2
SCHEMBL478462 0.74 F11 (0.42) FLT1KDRFLT3F11ROCK2
SCHEMBL479189 0.72 F11 (0.51) F11ROCK2NPC1RAB9ASMN1; SMN2
SCHEMBL478910 0.71 F11 (0.48) FLT1KDRFLT3F11ROCK2
SCHEMBL478958 0.71 F11 (0.42) FLT1KDRFLT3F11ROCK2
SCHEMBL478460 0.70 F11 (0.47) FLT1KDRFLT3F11ROCK2
SCHEMBL479341 0.70 F11 (0.53) F11ROCK2ROCK1NPC1RAB9A
SCHEMBL479338 0.70 F11 (0.53) F11ROCK2ROCK1NPC1RAB9A

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-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 FLT1 149/4885KDR 492/4885FLT3 225/4885

“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.