SCHEMBL4470407

SCHEMBL4470407

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 3/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 4/20 0.32
MEN1 O00255 1/20 0.32
BCHE P06276 1/20 0.32
TP53 P04637 2/20 0.32
GCGR P47871 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4470410 1.00 EGFR (0.37) EGFRMAPTALDH1A1HPGDLMNA
SCHEMBL4477274 0.93 LMNA (0.40) EGFRMAPTALDH1A1LMNAKMT2A
SCHEMBL4477265 0.93 LMNA (0.40) EGFRMAPTALDH1A1LMNAKMT2A
SCHEMBL4477532 0.93 ATM (0.36) EGFRMAPTALDH1A1LMNAKMT2A
SCHEMBL4477525 0.93 ATM (0.36) EGFRMAPTALDH1A1LMNAKMT2A
SCHEMBL4475604 0.93 KMT2A (0.37) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4475609 0.93 KMT2A (0.37) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4492169 0.92 LMNA (0.37) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4492162 0.92 LMNA (0.37) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4484201 0.92 POLB (0.37) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2

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 EGFR 1379/4885MAPT 4742/4885ALDH1A1 1363/4885

“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.