SCHEMBL13554357

SCHEMBL13554357

CCc1ccc2[nH]nc(C(=O)NC)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.60
GSK3B P49841 2/20 0.55
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
JAK3 P52333 1/20 0.52
NTRK1 P04629 10/20 0.49
PAK1 Q13153 1/20 0.46
FLT3 P36888 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PLK1 P53350 1/20 0.45
NTRK3 Q16288 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HAO1 Q9UJM8 1/20 0.44

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
SCHEMBL13554345 0.87 GSK3B (0.60) YTHDC1GSK3BNPC1RAB9ALMNA
SCHEMBL13267443 0.84 KDM4E (0.61) GSK3BNTRK1FLT3NPC1RAB9A
SCHEMBL2056320 0.84 HAO1 (0.57) GSK3BPAK1NPC1RAB9ALMNA
SCHEMBL13554360 0.82 JAK2 (0.50) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL13554335 0.82 GSK3B (0.55) GSK3BNPC1RAB9ALMNA
SCHEMBL15942803 0.81 YTHDC1 (0.65) YTHDC1GSK3BJAK2JAK1TYK2
SCHEMBL2468351 0.81 YTHDC1 (0.65) YTHDC1GSK3BJAK2JAK1TYK2
SCHEMBL13386937 0.79 YTHDC1 (0.63) YTHDC1GSK3BJAK2JAK1TYK2
SCHEMBL19001429 0.79 YTHDC1 (0.63) YTHDC1JAK2JAK1TYK2JAK3
SCHEMBL13386932 0.79 YTHDC1 (0.58) YTHDC1NTRK1PAK1FLT3NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802688-B2 Substituted acetyl-coa carboxylase inhibitors PFIZER INC. (US) 2014-08-12 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 (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-20120270893-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 YTHDC1 4833/4885GSK3B 326/4885JAK2 1917/4885

“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.