SCHEMBL4069107

SCHEMBL4069107

COC(=O)/C(=C\c1cnccc1NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
CYP17A1 P05093 4/20 0.38
RAB9A P51151 1/20 0.38
ATR Q13535 1/20 0.36
BRS3 P32247 1/20 0.35
METAP1 P53582 1/20 0.34
IDO1 P14902 2/20 0.33
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
MAP4K1 Q92918 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
SCHEMBL4064721 1.00 NAMPT (0.39) NAMPTCYP17A1RAB9AATRBRS3
SCHEMBL5262907 0.88 CYP1A2 (0.38) NAMPTCYP17A1RAB9A
SCHEMBL14195878 0.87 POLB (0.42) NAMPTCYP17A1RAB9A
SCHEMBL14291605 0.82 NAMPT (0.43) NAMPTCYP17A1RAB9AATRBRS3
SCHEMBL6505994 0.80 RAB9A (0.35) NAMPTCYP17A1RAB9AATR
SCHEMBL1197794 0.80 CYP17A1 (0.47) NAMPTCYP17A1RAB9AATRBRS3
SCHEMBL29957527 0.80 CYP17A1 (0.47) NAMPTCYP17A1RAB9AATRBRS3
SCHEMBL8274206 0.79 MAPT (0.43) NAMPTRAB9A
SCHEMBL4890329 0.79 MAPT (0.43) NAMPTRAB9A
SCHEMBL4890326 0.79 MAPT (0.43) NAMPTRAB9A

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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
US-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
EP-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 NAMPT 1019/4885CYP17A1 1913/4885RAB9A 3751/4885

“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.