SCHEMBL4491950

SCHEMBL4491950

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)NC3CCOC(C)(C)C3)n(CC(c3ccccc3)c3ccccc3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
MAPK10 P53779 1/20 0.33
GABRA5 P31644 1/20 0.33
ALDH1A1 P00352 7/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 2/20 0.33
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4491956 1.00 BACE1 (0.35) BACE1RAB9AKMT2AMAPTMAPK10
SCHEMBL4477860 0.90 HTT (0.37) BACE1RAB9AKMT2AMAPK10GABRA5
SCHEMBL4477868 0.90 HTT (0.37) BACE1RAB9AKMT2AMAPK10GABRA5
SCHEMBL4477528 0.87 TP53 (0.37) BACE1RAB9AKMT2AMAPTMAPK10
SCHEMBL4477523 0.87 TP53 (0.37) BACE1RAB9AKMT2AMAPTMAPK10
SCHEMBL4487037 0.85 ALDH1A1 (0.34) BACE1RAB9AKMT2AMAPTMAPK10
SCHEMBL4487043 0.85 ALDH1A1 (0.34) BACE1RAB9AKMT2AMAPTMAPK10
SCHEMBL4494192 0.85 BACE1 (0.33) BACE1RAB9AKMT2AMAPTMAPK10
SCHEMBL4494197 0.85 BACE1 (0.33) BACE1RAB9AKMT2AMAPTMAPK10
SCHEMBL4480682 0.85 KMT2A (0.35) RAB9AKMT2AMAPTALDH1A1GLA

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 BACE1 4646/4885RAB9A 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.