SCHEMBL13554365

SCHEMBL13554365

CCc1ccc2c(C#N)n[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
FGFR1 P11362 1/20 0.40
CYP2A6 P11509 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2B Q14289 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NTRK1 P04629 1/20 0.37
MAPK1 P28482 1/20 0.36
IDO1 P14902 1/20 0.35
GSK3B P49841 4/20 0.35
TRPA1 O75762 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL13554441 0.87 NTRK1 (0.44) KIF11FGFR1CYP2A6MEN1NPC1
SCHEMBL27190999 0.84 NTRK1 (0.34) NTRK1MAPK1GSK3BTRPA1SCN5A
SCHEMBL15942805 0.78 ITK (0.51) KIF11NTRK1MAPK1MAP2K4ITK
SCHEMBL29937465 0.78 ITK (0.51) KIF11NTRK1MAPK1MAP2K4ITK
SCHEMBL10189221 0.76 KIF11 (0.47) KIF11FGFR1MEN1NPC1ALDH1A1
SCHEMBL8348438 0.76 KIF11 (0.47) KIF11FGFR1MEN1NPC1ALDH1A1
SCHEMBL91579 0.76 PDPK1 (0.55) KIF11FGFR1MEN1NPC1ALDH1A1
SCHEMBL28253341 0.75 NTRK1 (0.44) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL11977413 0.75 PDPK1 (0.58) MAPK1IDO1GSK3BTTKCDK2
SCHEMBL31621168 0.75 MAP2K4 (0.44) ALDH1A1GSK3BTRPA1MAP2K4

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-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-04-23 US disclosed
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2014-10-30 US disclosed
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-10-25 US 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 (3 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-20150112068-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 KIF11 3516/4885FGFR1 780/4885CYP2A6 658/4885
US-20140323730-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 KIF11 3473/4885FGFR1 791/4885CYP2A6 706/4885
US-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 KIF11 3473/4885FGFR1 791/4885CYP2A6 706/4885

“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.