SCHEMBL19365686

SCHEMBL19365686

O=C(Nc1ccncc1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCC[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.41
▸ TRPV3 Q8NET8 2/20 0.41
▸ POLB P06746 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ NAMPT P43490 3/20 0.37
▸ EIF2AK4 Q9P2K8 2/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 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
SCHEMBL17624239 1.00 MAP4K4 (0.41) MAP4K4TRPV3POLBSCN10ANAMPT
SCHEMBL20733297 0.92 MAP4K4 (0.42) MAP4K4TRPV3NAMPTEIF2AK4SMN1; SMN2
SCHEMBL19670296 0.90 TRPV1 (0.41) MAP4K4TRPV3POLBSCN10ANAMPT
SCHEMBL16754618 0.90 TRPV1 (0.41) MAP4K4TRPV3POLBSCN10ANAMPT
SCHEMBL16754312 0.90 TRPV1 (0.41) MAP4K4TRPV3POLBSCN10ANAMPT
SCHEMBL19365684 0.90 TRPV1 (0.41) MAP4K4TRPV3POLBSCN10ANAMPT
SCHEMBL19670611 0.88 MAP4K4 (0.43) MAP4K4TRPV3POLBSCN10AEIF2AK4
SCHEMBL19365396 0.88 MAP4K4 (0.43) MAP4K4TRPV3POLBSCN10AEIF2AK4
SCHEMBL17624397 0.88 MAP4K4 (0.43) MAP4K4TRPV3POLBSCN10AEIF2AK4
SCHEMBL16754409 0.88 MAP4K4 (0.43) MAP4K4TRPV3POLBSCN10ANAMPT

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 6 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
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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 MAP4K4 2229/4885TRPV3 4093/4885POLB 961/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAP4K4 2229/4885TRPV3 4093/4885POLB 961/4885

“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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