SCHEMBL4559140

SCHEMBL4559140

Cc1cc(C)c2c(C#N)c(C=CC(=O)N(C)C3CCOCC3)n(C3CCCc4ccccc43)c2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
P4HB P07237 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SPR P35270 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GCGR P47871 1/20 0.31
CD38 P28907 2/20 0.30
PDE7A Q13946 1/20 0.30
PDE7B Q9NP56 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4488387 0.88 ALDH1A1 (0.34) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL4488393 0.88 ALDH1A1 (0.34) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL4488946 0.88 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2SPR
SCHEMBL4488938 0.88 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2SPR
SCHEMBL4489886 0.86 MEN1 (0.39) MEN1KMT2AP4HBALDH1A1NPC1
SCHEMBL4489891 0.86 MEN1 (0.39) MEN1KMT2AP4HBALDH1A1NPC1
SCHEMBL4478024 0.86 PDE7A (0.36) ALDH1A1SMN1; SMN2CD38PDE7APDE7B
SCHEMBL4479225 0.86 PDE7A (0.36) ALDH1A1SMN1; SMN2CD38PDE7APDE7B
SCHEMBL4478017 0.86 PDE7A (0.36) ALDH1A1SMN1; SMN2CD38PDE7APDE7B
SCHEMBL4479230 0.86 PDE7A (0.36) ALDH1A1SMN1; SMN2CD38PDE7APDE7B

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 MEN1 4657/4885KMT2A 3881/4885P4HB 506/4885

“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.