SCHEMBL4477860

SCHEMBL4477860

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)NC3CCOC(C)(C)C3)n(Cc3ccccc3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
TSHR P16473 1/20 0.37
MAPK10 P53779 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HIF1A Q16665 1/20 0.35
RAB9A P51151 1/20 0.35
BACE1 P56817 1/20 0.35
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL4477868 1.00 HTT (0.37) HTTKMT2AKDM4EHPGDMEN1
SCHEMBL4493360 0.92 MAPK10 (0.36) KMT2AKDM4EHPGDMAPK10ALDH1A1
SCHEMBL4493368 0.92 MAPK10 (0.36) KMT2AKDM4EHPGDMAPK10ALDH1A1
SCHEMBL4491950 0.90 BACE1 (0.35) KMT2AKDM4EHPGDMAPK10ALDH1A1
SCHEMBL4491956 0.90 BACE1 (0.35) KMT2AKDM4EHPGDMAPK10ALDH1A1
SCHEMBL4487043 0.89 ALDH1A1 (0.34) HTTKMT2AHPGDMEN1TSHR
SCHEMBL4487037 0.89 ALDH1A1 (0.34) HTTKMT2AHPGDMEN1TSHR
SCHEMBL4477528 0.88 TP53 (0.37) HTTKMT2AKDM4EHPGDMEN1
SCHEMBL4477523 0.88 TP53 (0.37) HTTKMT2AKDM4EHPGDMEN1
SCHEMBL4480682 0.86 KMT2A (0.35) HTTKMT2AKDM4EHPGDMEN1

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 HTT 2457/4885KMT2A 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.