SCHEMBL16775950

SCHEMBL16775950

C[C@@H]1CCNc2ccc(-c3cccc(OC(F)(F)F)c3)nc2N1C(=O)Nc1ccncc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 9/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL19670236 0.86 DHODH (0.40) SLC5A1DHODHIRAK4TYRO3FYN
SCHEMBL16775942 0.85 HDAC2 (0.37) ROCK2KIT
SCHEMBL16775952 0.84 GPR65 (0.36) TRPV3
SCHEMBL16775948 0.81 PIM2 (0.40) —
SCHEMBL16775849 0.80 KDM4C (0.34) KIT
SCHEMBL17618462 0.79 ABL1 (0.41) DHODHIRAK4DYRK1A
SCHEMBL16776472 0.76 CA2 (0.41) SLC5A1FYN
SCHEMBL16785527 0.75 MC4R (0.39) FYNDYRK1AKIT
SCHEMBL16776479 0.74 SLC5A1 (0.41) SLC5A1FYN
SCHEMBL16775822 0.73 TRPV1 (0.37) FYNROCK2KIT

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 SLC5A1 1202/4885DHODH 975/4885IRAK4 2599/4885

“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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