SCHEMBL4473358

SCHEMBL4473358

Cc1cc(C)c2c(C#N)c(C=CC(=O)NC3CCOC(C)(C)C3)n(C3Cc4ccccc4C3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
BACE1 P56817 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK10 P53779 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
GABRA5 P31644 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL4473355 1.00 RAB9A (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4479983 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4476286 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4475688 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4479493 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4475692 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4483471 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4476291 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4479491 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1
SCHEMBL4479977 0.89 SMN1; SMN2 (0.33) RAB9ABACE1KMT2AMAPK10MAPK1

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 RAB9A 3079/4885BACE1 4646/4885KMT2A 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.