SCHEMBL4470769

SCHEMBL4470769

COc1ccc2c(c1OC)CCCC2n1c(C=CC(=O)Nc2cccnc2)c(C#N)c2c(C)cc(C)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.39
NAMPT P43490 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
TGFBR1 P36897 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 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
SCHEMBL4482533 0.97 MEN1 (0.43) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4482528 0.97 MEN1 (0.43) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4477299 0.92 SMN1; SMN2 (0.40) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4477290 0.92 SMN1; SMN2 (0.40) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4477970 0.89 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4477965 0.89 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4493334 0.86 RAB9A (0.37) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4479509 0.86 RAB9A (0.37) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4479501 0.86 RAB9A (0.37) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL4493340 0.86 RAB9A (0.37) MEN1KMT2AKDM4ERAB9ANPC1

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 MEN1 4657/4885KMT2A 3881/4885KDM4E 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.