SCHEMBL19699095

SCHEMBL19699095

CC(C)(C)CC(=O)N1CCc2cc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 15/20 0.38
▸ CHEK1 O14757 14/20 0.38
▸ MAP3K7 O43318 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL17624661 0.90 JAK2 (0.44) NPY2RCA2CA9TRPV1MEN1
SCHEMBL17624496 0.87 RAF1 (0.41) NPY2RCA2CA9TRPV1MEN1
SCHEMBL17618778 0.86 MAPT (0.41) NPY2RCA2CA9TRPV1MEN1
SCHEMBL19706242 0.85 FLT3 (0.39) FLT3CHEK1MAP3K7KITRPS6KB1
SCHEMBL17618783 0.83 MEN1 (0.47) KITTRPV1MEN1ALDH1A1KMT2A
SCHEMBL17618348 0.81 IDH2 (0.45) CA2CA9TRPV1MEN1ALDH1A1
SCHEMBL16250003 0.80 CA2 (0.42) NPY2RCA2CA9MEN1ALDH1A1
SCHEMBL17618820 0.80 MEN1 (0.43) NPY2RTRPV1MEN1ALDH1A1KMT2A
SCHEMBL17618817 0.80 CA2 (0.41) NPY2RCA2CA9TRPV1MEN1
SCHEMBL17618796 0.80 MEN1 (0.45) TRPV1MEN1ALDH1A1KMT2A

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FLT3 319/4885CHEK1 918/4885MAP3K7 2400/4885

“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.

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