SCHEMBL4186314

SCHEMBL4186314

C[N]C(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
ALDH1A1 P00352 3/20 0.59
APP P05067 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
SIRT4 Q9Y6E7 1/20 0.57
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
LMNA P02545 2/20 0.50
PLOD2 O00469 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL2000039 0.83 ALDH1A1 (0.63) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL30202509 0.82 ALDH1A1 (0.61) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL128527 0.82 ALDH1A1 (0.61) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL27764010 0.80 ALDH1A1 (0.59) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL9580010 0.78 ALDH1A1 (0.57) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL28323645 0.78 ALDH1A1 (0.57) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL27505451 0.77 F7 (0.58) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL10918990 0.77 ALDH1A1 (0.55) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL27714167 0.77 F7 (0.63) GAAALDH1A1APPHCAR3HCAR2
SCHEMBL5064861 0.77 ALDH1A1 (0.55) GAAALDH1A1APPHCAR3HCAR2

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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US claimed
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 GAA 3242/4885ALDH1A1 1138/4885APP 4500/4885

“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.