SCHEMBL4821781

SCHEMBL4821781

NC(=O)c1ccc(Oc2ccnc3[nH]c(-c4cccnc4)cc23)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.60
ROCK2 O75116 1/20 0.47
KIT P10721 4/20 0.46
MKNK1 Q9BUB5 3/20 0.45
MKNK2 Q9HBH9 3/20 0.45
CHUK O15111 3/20 0.44
INSR P06213 3/20 0.44
MAPK8 P45983 3/20 0.44
CAMKK2 Q96RR4 3/20 0.44
RIPK1 Q13546 1/20 0.43
PTK2 Q05397 1/20 0.41
PIM1 P11309 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL2166967 0.91 MET (0.49) METKITCHUKINSRMAPK8
SCHEMBL4248829 0.85 MET (0.57) METROCK2KIT
SCHEMBL4820910 0.83 MET (0.68) METROCK2
SCHEMBL4817614 0.81 MET (0.67) METROCK2
SCHEMBL4820123 0.80 MET (0.60) METROCK2MKNK1MKNK2MAPK8
SCHEMBL4817286 0.80 MET (0.78) METROCK2KIT
SCHEMBL4817278 0.79 MET (0.63) METROCK2KIT
SCHEMBL4815289 0.76 MET (0.61) METROCK2CHUK
SCHEMBL4814645 0.75 MET (1.00) MET
SCHEMBL2166562 0.75 MET (0.47) METROCK2KITRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US claimed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885ROCK2 395/4885KIT 527/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 MET 2109/4885ROCK2 433/4885KIT 754/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 MET 721/4885ROCK2 395/4885KIT 527/4885

“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.