SCHEMBL4480593

SCHEMBL4480593

Cc1cc(C)c2c(C#N)c(C=CC(=O)N3CCOCC3)n(C3Cc4ccccc4C3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
KHK P50053 1/20 0.37
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
ITGAL P20701 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
SCHEMBL4480588 1.00 RAB9A (0.39) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4472202 0.91 ALDH1A1 (0.37) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4472195 0.91 ALDH1A1 (0.37) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4478465 0.88 POLB (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4478460 0.88 POLB (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4489886 0.87 MEN1 (0.39) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4489891 0.87 MEN1 (0.39) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL6220908 0.86 RAB9A (0.36) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL6220915 0.86 RAB9A (0.36) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4474286 0.86 ALDH1A1 (0.37) RAB9ANPC1KDM4EALDH1A1HPGD

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.