SCHEMBL4483320

SCHEMBL4483320

CC(C)c1cc(C(C)C)c2c(C#N)c(/C=C/C(=O)Nc3cccnc3)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.36
NPC1 O15118 9/20 0.36
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
MARK3 P27448 1/20 0.35
MARK4 Q96L34 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 3/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL4483328 1.00 RAB9A (0.36) RAB9ANPC1HTR2CHTR2AMARK3
SCHEMBL4491015 0.86 RAB9A (0.38) RAB9ANPC1HTR2CHTR2AMARK3
SCHEMBL4491021 0.86 RAB9A (0.38) RAB9ANPC1HTR2CHTR2AMARK3
SCHEMBL4472516 0.86 CMA1 (0.33)
SCHEMBL4472509 0.86 CMA1 (0.33)
SCHEMBL4476297 0.85 RAB9A (0.36) RAB9ANPC1HTR2CHTR2AMARK3
SCHEMBL4476302 0.85 RAB9A (0.36) RAB9ANPC1HTR2CHTR2AMARK3
SCHEMBL4469825 0.83 RAB9A (0.39) RAB9ANPC1HTR2CHTR2AMARK3
SCHEMBL4469817 0.83 RAB9A (0.39) RAB9ANPC1HTR2CHTR2AMARK3
SCHEMBL4479509 0.82 RAB9A (0.37) RAB9ANPC1HTR2CHTR2AMARK3

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 4441/4885HTR2C 392/4885

“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.