SCHEMBL4465216

SCHEMBL4465216

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 10/20 0.34
KDM4E B2RXH2 7/20 0.34
HPGD P15428 6/20 0.34
HSD17B10 Q99714 5/20 0.34
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4474286 0.86 ALDH1A1 (0.37) MAPTCYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL4474294 0.86 ALDH1A1 (0.37) MAPTCYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL4477285 0.83 PDE7A (0.37) MAPTCYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL4480752 0.83 PDE7A (0.37) MAPTCYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL4487077 0.83 PDE7A (0.37) MAPTCYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL4480042 0.83 AGTR1 (0.37) MAPTCYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4472202 0.81 ALDH1A1 (0.37) MAPTNPC1LMNAALDH1A1KDM4E
SCHEMBL4472195 0.81 ALDH1A1 (0.37) MAPTNPC1LMNAALDH1A1KDM4E
SCHEMBL4480593 0.80 RAB9A (0.39) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD
SCHEMBL4480588 0.80 RAB9A (0.39) SMN1; SMN2NPC1ALDH1A1KDM4EHPGD

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 MAPT 4742/4885CYP1A2 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.