SCHEMBL4479501

SCHEMBL4479501

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)Nc3cccnc3)n([C@H]3CCCc4ccccc43)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.37
NPC1 O15118 8/20 0.37
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MARK3 P27448 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
SCHEMBL4493340 1.00 RAB9A (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4493334 1.00 RAB9A (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4479509 1.00 RAB9A (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4491021 0.96 RAB9A (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4491015 0.96 RAB9A (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4475604 0.93 KMT2A (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4475609 0.93 KMT2A (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4477294 0.92 ROCK2 (0.33) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4481931 0.92 ROCK2 (0.33) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4481939 0.92 ROCK2 (0.33) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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 4441/4885ALDH1A1 1363/4885

“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.