SCHEMBL4477965

SCHEMBL4477965

COc1ccc2c(c1OC)CCC2n1c(/C=C/C(=O)Nc2ccncc2)c(C#N)c2c(C)cc(C)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 10/20 0.35
TP53 P04637 5/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
TGFBR1 P36897 2/20 0.34
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAPK1 P28482 1/20 0.32
NAMPT P43490 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
SCHEMBL4477970 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDHTTKDM4E
SCHEMBL4477299 0.97 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDHTTKDM4E
SCHEMBL4477290 0.97 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDHTTKDM4E
SCHEMBL4482533 0.92 MEN1 (0.43) SMN1; SMN2ALDH1A1HPGDHTTKDM4E
SCHEMBL4482528 0.92 MEN1 (0.43) SMN1; SMN2ALDH1A1HPGDHTTKDM4E
SCHEMBL4470769 0.89 MEN1 (0.43) SMN1; SMN2ALDH1A1HPGDHTTKDM4E
SCHEMBL4475908 0.88 CMA1 (0.35) ALDH1A1HPGDHTTKDM4ELMNA
SCHEMBL4475899 0.88 CMA1 (0.35) ALDH1A1HPGDHTTKDM4ELMNA
SCHEMBL4474879 0.84 PARP1 (0.39) ALDH1A1HPGDHTTKDM4ETP53
SCHEMBL4474885 0.84 PARP1 (0.39) ALDH1A1HPGDHTTKDM4ETP53

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 3351/4885ALDH1A1 1363/4885HPGD 75/4885

“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.