SCHEMBL4470375

SCHEMBL4470375

Cc1cc(C)c2c(C#N)c(/C=C/C(=O)Nc3ccc(C)c(C)c3)n([C@H]3CCCc4ccccc43)c2n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 5/20 0.34
POLB P06746 3/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 4/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CD38 P28907 2/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 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
SCHEMBL4470380 1.00 RAB9A (0.36) RAB9AALDH1A1POLBHTTLMNA
SCHEMBL4477532 0.93 ATM (0.36) RAB9AALDH1A1LMNANPC1KMT2A
SCHEMBL4477525 0.93 ATM (0.36) RAB9AALDH1A1LMNANPC1KMT2A
SCHEMBL4475604 0.93 KMT2A (0.37) RAB9AALDH1A1LMNANPC1KMT2A
SCHEMBL4475609 0.93 KMT2A (0.37) RAB9AALDH1A1LMNANPC1KMT2A
SCHEMBL4484201 0.93 POLB (0.37) RAB9AALDH1A1POLBLMNANPC1
SCHEMBL4484206 0.93 POLB (0.37) RAB9AALDH1A1POLBLMNANPC1
SCHEMBL4492162 0.93 LMNA (0.37) RAB9AALDH1A1LMNANPC1KMT2A
SCHEMBL4492169 0.93 LMNA (0.37) RAB9AALDH1A1LMNANPC1KMT2A
SCHEMBL4478625 0.92 KMT2A (0.33) RAB9AALDH1A1POLBLMNANPC1

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 5 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 claimed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US claimed
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 RAB9A 3079/4885ALDH1A1 1363/4885POLB 3355/4885

“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.