SCHEMBL4492162

SCHEMBL4492162

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)Nc3ccc(C#N)cc3)n([C@H]3CCCc4ccccc43)c2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
DHODH Q02127 1/20 0.33
NAMPT P43490 1/20 0.33
CD38 P28907 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL4492169 1.00 LMNA (0.37) LMNAALDH1A1L3MBTL1CA12CA9
SCHEMBL4477532 0.95 ATM (0.36) LMNAALDH1A1KMT2ASMN1; SMN2CD38
SCHEMBL4477525 0.95 ATM (0.36) LMNAALDH1A1KMT2ASMN1; SMN2CD38
SCHEMBL4475604 0.95 KMT2A (0.37) LMNAALDH1A1KMT2ASMN1; SMN2CD38
SCHEMBL4475609 0.95 KMT2A (0.37) LMNAALDH1A1KMT2ASMN1; SMN2CD38
SCHEMBL4484201 0.94 POLB (0.37) LMNAALDH1A1KMT2ASMN1; SMN2CD38
SCHEMBL4484206 0.94 POLB (0.37) LMNAALDH1A1KMT2ASMN1; SMN2CD38
SCHEMBL4477265 0.93 LMNA (0.40) LMNAALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4477274 0.93 LMNA (0.40) LMNAALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4476774 0.93 KDM4E (0.38) LMNAKMT2ASMN1; SMN2CD38KDM4E

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 LMNA 4879/4885ALDH1A1 1363/4885L3MBTL1 4827/4885

“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.