SCHEMBL19699072

SCHEMBL19699072

CCN1CCCCN(C(=O)Nc2ccncc2)c2nc(-c3cncc(Cl)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.35
▸ CLK2 P49760 2/20 0.35
▸ CLK3 P49761 2/20 0.35
▸ HTR2A P28223 6/20 0.35
▸ HTR2C P28335 6/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ FAAH O00519 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL19699071 0.91 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL17655384 0.88 TP53 (0.40) HTR2AHTR2CTP53FAAHCYP1A2
SCHEMBL19699074 0.87 FAAH (0.37) DYRK1ACLK2CLK3WNT1POLB
SCHEMBL19699070 0.86 FGFR4 (0.41) DYRK1AWNT1FAAHRAB9A
SCHEMBL12653823 0.83 EPHX2 (0.39) HTR2AHTR2CPOLBFAAH
SCHEMBL19699069 0.83 FGFR4 (0.46) CYP11B2FAAH
SCHEMBL1815620 0.80 HTR2C (0.49) HTR2AHTR2CTP53
SCHEMBL12654215 0.78 TP53 (0.42) TP53
SCHEMBL19699073 0.77 HTR2C (0.39) DYRK1AHTR2AHTR2CWNT1CYP11B2
SCHEMBL12654670 0.77 CNR1 (0.38) TP53

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 DYRK1A 2623/4885CLK2 712/4885CLK3 1301/4885

“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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