SCHEMBL4491967

SCHEMBL4491967

Cc1cc(C)c2c(C#N)c(C=CC(=O)N3CCOCC3)n(CC(c3ccccc3)c3ccccc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
KHK P50053 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
APP P05067 1/20 0.36
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL4491963 1.00 RAB9A (0.40) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4480585 0.88 ALDH1A1 (0.43) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4480577 0.88 ALDH1A1 (0.43) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4482610 0.86 SMN1; SMN2 (0.40) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4482614 0.86 SMN1; SMN2 (0.40) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4488423 0.85 RAB9A (0.42) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4488431 0.85 RAB9A (0.42) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4475482 0.83 ALDH1A1 (0.44) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4475496 0.83 ALDH1A1 (0.44) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL4481338 0.81 ALDH1A1 (0.38) KDM4EMEN1KMT2AALDH1A1HPGD

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 3079/4885NPC1 4441/4885KDM4E 2991/4885

“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.