SCHEMBL20733187

SCHEMBL20733187

OC(Nc1ccccn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 4/20 0.41
▸ KIT P10721 1/20 0.35
▸ NR3C2 P08235 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ RPS6KB1 P23443 5/20 0.34
▸ AKT1 P31749 4/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PRKD1 Q15139 2/20 0.33
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ PRKD2 Q9BZL6 1/20 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
SCHEMBL16754346 0.83 IDH2 (0.40) IDH2KITNR3C2RPS6KB1AKT1
SCHEMBL17778564 0.83 IDH2 (0.40) IDH2KITNR3C2RPS6KB1AKT1
SCHEMBL19670351 0.79 MAP4K4 (0.43) TRPV3MAP4K4
SCHEMBL19670500 0.79 MAP4K4 (0.43) TRPV3MAP4K4
SCHEMBL17618458 0.78 TRPV1 (0.41) IDH2KITNR3C2RPS6KB1AKT1
SCHEMBL19670542 0.78 RHOA (0.39) IDH2
SCHEMBL19706103 0.78 PRKCQ (0.32) IDH2MAP4K4
SCHEMBL20733227 0.77 IDH2 (0.40) IDH2KITNR3C2RPS6KB1AKT1
SCHEMBL19670315 0.77 HRH3 (0.38) TRPV3
SCHEMBL20733153 0.77 GRM5 (0.36) —

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885KIT 1450/4885NR3C2 4528/4885

“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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