SCHEMBL13554335

SCHEMBL13554335

CCc1ccc2[nH]nc(C(=O)NCC(F)(F)F)c2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.55
DYRK1A Q13627 11/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
WNT1 P04628 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.86 GSK3B (0.60) GSK3BDYRK1ASMN1; SMN2RAB9ANPC1
SCHEMBL15942816 0.85 HDAC3 (0.51) GSK3BDYRK1ASMN1; SMN2KDM4EWNT1
SCHEMBL13554357 0.82 YTHDC1 (0.60) GSK3BRAB9ANPC1LMNA
SCHEMBL13386776 0.81 DYRK1A (0.47) GSK3BDYRK1ASMN1; SMN2RAB9ANPC1
SCHEMBL13267443 0.78 KDM4E (0.61) GSK3BSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2056320 0.77 HAO1 (0.57) GSK3BSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13554360 0.76 JAK2 (0.50) GSK3BDYRK1ASMN1; SMN2RAB9ANPC1
SCHEMBL12583332 0.75 GSK3B (0.49) GSK3BDYRK1ASMN1; SMN2KDM4EGAA
SCHEMBL21311366 0.74 DYRK1A (0.72) GSK3BDYRK1AWNT1
SCHEMBL8373049 0.72 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1LMNAKDM4E

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 GSK3B 326/4885DYRK1A 4172/4885SMN1; SMN2 4003/4885

“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.