SCHEMBL16775826

SCHEMBL16775826

O=C(Nc1cncc(F)c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HTR2C P28335 4/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ KIT P10721 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ KMO O15229 1/20 0.37
▸ SLC5A1 P13866 3/20 0.36
▸ BRAF P15056 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ JAK2 O60674 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
SCHEMBL16785651 0.98 CA2 (0.39) CA2CA9HTR2CHTR2AKIT
SCHEMBL16776333 0.94 HTR2C (0.36) CA2CA9HTR2CHTR2AFYN
SCHEMBL16785649 0.91 CA2 (0.39) CA2CA9HTR2CHTR2AKIT
SCHEMBL16775829 0.91 CA2 (0.41) CA2CA9HTR2CHTR2AKIT
SCHEMBL16775824 0.90 HTR2A (0.50) CA2CA9HTR2CHTR2AKIT
SCHEMBL16776011 0.89 CA9 (0.38) CA9HTR2CHTR2ACCNCCDK8
SCHEMBL16776322 0.89 NPC1 (0.44) CA2CA9KITFYNCDK8
SCHEMBL16775841 0.88 CA2 (0.41) CA2CA9HTR2CHTR2AKIT
SCHEMBL16775916 0.88 FAAH (0.38) HTR2CHTR2AFYNMEN1KMT2A
SCHEMBL16785538 0.88 HTR2A (0.49) CA2CA9HTR2CHTR2AKIT

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885HTR2C 4651/4885

“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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