SCHEMBL19706033

SCHEMBL19706033

CCN1CCCNc2nc(-c3cncc(C(F)(F)F)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.41
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP11 Q9NR21 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CYP11B2 P19099 5/20 0.35
▸ CHRNA7 P36544 2/20 0.34
▸ GRIN2B Q13224 3/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ CYP11B1 P15538 2/20 0.32

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
SCHEMBL19865029 0.86 KDM1A (0.42) GRIN2BGRIN1
SCHEMBL19865027 0.82 PIM1 (0.34) PIM1CYP11B2CYP11B1
SCHEMBL19705991 0.80 MAP4K4 (0.39) PARP10PARP11TRPV3GRIN2BGRIN1
SCHEMBL19670139 0.75 MAP4K4 (0.37) AKT1
SCHEMBL1816731 0.74 GAK (0.38) —
SCHEMBL19365271 0.72 KDM1A (0.44) —
SCHEMBL19670524 0.71 CYP11B2 (0.39) TNFTRPV3CYP11B2GRIN2BDYRK1A
SCHEMBL19670163 0.71 KCNH2 (0.43) TRPV3PIM1
SCHEMBL20632961 0.70 CYP11B2 (0.39) TNFPARP10PARP11TRPV3PIM1
SCHEMBL19699073 0.70 HTR2C (0.39) TNFTRPV3CYP11B2DYRK1A

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
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 (2 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 TNF 2029/4885PARP10 542/4885PARP11 320/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TNF 2029/4885PARP10 542/4885PARP11 320/4885

“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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