SCHEMBL19699070

SCHEMBL19699070

CCN1CCCCN(C(=O)Nc2ccccn2)c2nc(-c3cncc(Cl)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ FAAH O00519 2/20 0.37
▸ MDM2 Q00987 1/20 0.36
▸ WNT1 P04628 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ GRM5 P41594 3/20 0.36
▸ HCRTR2 O43614 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ NPC1 O15118 2/20 0.34

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
SCHEMBL19699074 0.91 FAAH (0.37) FGFR4FAAHWNT1DYRK1ARAB9A
SCHEMBL12654669 0.88 CNR2 (0.50) FGFR4CNR2FAAHGRM5KMT2A
SCHEMBL19699072 0.86 DYRK1A (0.35) FAAHWNT1DYRK1ARAB9A
SCHEMBL19699071 0.86 HTR2C (0.47) —
SCHEMBL19699069 0.85 FGFR4 (0.46) FGFR4FAAHGRM5MEN1KMT2A
SCHEMBL19670184 0.85 MDM2 (0.39) CNR2FAAHMDM2WNT1DYRK1A
SCHEMBL19670591 0.82 FGFR4 (0.42) FGFR4FAAHGRM5ADORA3ADORA2A
SCHEMBL16775803 0.81 FGFR4 (0.48) FGFR4FAAHRAB9AGRM5MEN1
SCHEMBL12654526 0.80 MPL (0.42) CNR2FAAHGRM5SMN1; SMN2
SCHEMBL19670663 0.80 FGFR4 (0.40) FGFR4FAAHRAB9ANPC1

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 1 patent. 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

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 FGFR4 1754/4885CNR2 2514/4885FAAH 977/4885

“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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