SCHEMBL4479256

SCHEMBL4479256

Cc1cc(C)c2c(C#N)c(C=O)n(CCOc3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.39
PSMD14 O00487 1/20 0.38
AURKA O14965 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TP53 P04637 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL4479192 0.88 ALDH1A1 (0.40) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL4479188 0.88 ALDH1A1 (0.40) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL4470476 0.82 HPGD (0.55) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL4488423 0.80 RAB9A (0.42) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL4488431 0.80 RAB9A (0.42) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL4476545 0.80 HPGD (0.40) SMN1; SMN2CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL4473588 0.79 RAB9A (0.41) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL4473584 0.79 RAB9A (0.41) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL4477528 0.75 TP53 (0.37) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL4477523 0.75 TP53 (0.37) ALDH1A1HPGDMEN1KMT2AKDM4E

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 SMN1; SMN2 3351/4885CYP1A2 936/4885CYP2C19 895/4885

“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.