SCHEMBL19670524

SCHEMBL19670524

CCN1CCCN(C(=O)Nc2cncnc2)c2nc(-c3cncc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.39
▸ HTR2C P28335 9/20 0.38
▸ HTR2A P28223 7/20 0.38
▸ TRPV3 Q8NET8 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ HTR2B P41595 6/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ HCRTR1 O43613 1/20 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
SCHEMBL19699073 0.90 HTR2C (0.39) CYP11B2HTR2CHTR2ATRPV3TNF
SCHEMBL19670453 0.85 HTR2C (0.36) HTR2CHTR2ATRPV3HTR2BCYP1A2
SCHEMBL19365749 0.82 CA2 (0.42) —
SCHEMBL19670620 0.81 HTR2A (0.38) CYP11B2HTR2CHTR2AABL1
SCHEMBL19670640 0.80 HTR2C (0.51) HTR2CHTR2AHTR2BCYP1A2
SCHEMBL19670249 0.79 CA2 (0.42) HTR2CHTR2A
SCHEMBL19670692 0.79 BRAF (0.38) HTR2CHTR2ATRPV3HTR2BCYP1A2
SCHEMBL19670123 0.77 TRPA1 (0.37) TRPV3
SCHEMBL19699072 0.77 DYRK1A (0.35) CYP11B2HTR2CHTR2ATRPV3HTR2B
SCHEMBL19365407 0.77 MEN1 (0.49) CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (3 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 CYP11B2 1166/4885HTR2C 4651/4885HTR2A 4386/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP11B2 507/4885HTR2C 4746/4885HTR2A 4669/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CYP11B2 1166/4885HTR2C 4651/4885HTR2A 4386/4885

“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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