SCHEMBL4481077

SCHEMBL4481077

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)NC3CCOC(C)(C)C3)n(C(c3ccc(F)cc3)c3ccc(F)cc3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
MAPK10 P53779 1/20 0.30

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
SCHEMBL4481084 1.00 MAPK1 (0.33) MAPK1RAB9AKMT2ABACE1TP53
SCHEMBL4494192 0.97 BACE1 (0.33) MAPK1RAB9AKMT2ABACE1MAPK10
SCHEMBL4494197 0.97 BACE1 (0.33) MAPK1RAB9AKMT2ABACE1MAPK10
SCHEMBL4466575 0.90 GABRA5 (0.35) DRD2DRD3
SCHEMBL4466579 0.90 GABRA5 (0.35) DRD2DRD3
SCHEMBL6218996 0.82 SMN1; SMN2 (0.37) MAPK1
SCHEMBL6218994 0.82 SMN1; SMN2 (0.37) MAPK1
SCHEMBL4491956 0.82 BACE1 (0.35) MAPK1RAB9AKMT2ABACE1TP53
SCHEMBL4491950 0.82 BACE1 (0.35) MAPK1RAB9AKMT2ABACE1TP53
SCHEMBL4473355 0.80 RAB9A (0.33) MAPK1RAB9AKMT2ABACE1TP53

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-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 MAPK1 1318/4885RAB9A 3079/4885KMT2A 3881/4885

“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.