SCHEMBL4470739

SCHEMBL4470739

CCc1cc(CC)c2c(C#N)c(C=CC(=O)N3CCOCC3)n(C3CCc4ccccc43)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.34
KDM4E B2RXH2 5/20 0.33
NPC1 O15118 4/20 0.33
HPGD P15428 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
APP P05067 1/20 0.33
P4HB P07237 1/20 0.33
ITGB2 P05107 3/20 0.32
ICAM1 P05362 3/20 0.32
ITGAL P20701 3/20 0.32
CCR2 P41597 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4470734 1.00 RAB9A (0.34) RAB9AKDM4ENPC1HPGDMEN1
SCHEMBL4486655 0.92 CCR2 (0.33) HPGDCCR2CYP1A2CYP2C9CYP2C19
SCHEMBL4486658 0.92 CCR2 (0.33) HPGDCCR2CYP1A2CYP2C9CYP2C19
SCHEMBL4475952 0.89 POLB (0.36) KDM4EHPGDKMT2AHTTPOLB
SCHEMBL4475959 0.89 POLB (0.36) KDM4EHPGDKMT2AHTTPOLB
SCHEMBL4470416 0.88 CMA1 (0.35)
SCHEMBL4470424 0.88 CMA1 (0.35)
SCHEMBL4493216 0.86 NPC1 (0.33) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4493221 0.86 NPC1 (0.33) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6220915 0.86 RAB9A (0.36) RAB9AKDM4ENPC1HPGDMEN1

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 3079/4885KDM4E 2991/4885NPC1 4441/4885

“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.