SCHEMBL16754646

SCHEMBL16754646

O=C(Nc1cnccn1)N1c2nc(-c3cnc(C(F)(F)F)cn3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ HCRTR1 O43613 10/20 0.36
▸ HCRTR2 O43614 9/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ FAAH O00519 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ FPR1 P21462 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ DYRK3 O43781 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ FLT4 P35916 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
SCHEMBL17618570 0.91 ALOX15 (0.38) CYP2C19PIK3CAMAPTALOX15TSHR
SCHEMBL16754358 0.90 PIK3CA (0.47) CYP2C19PIK3CAMAPTALOX15TSHR
SCHEMBL16754326 0.88 MAPT (0.35) CYP2C19PIK3CAMAPTALOX15TSHR
SCHEMBL17778872 0.88 MAPT (0.35) CYP2C19PIK3CAMAPTALOX15TSHR
SCHEMBL19669051 0.86 MAPT (0.38) CYP2C19PIK3CAMAPTALOX15TSHR
SCHEMBL16754497 0.86 AKT1 (0.37) CYP2C19PIK3CAHCRTR1HCRTR2MAPT
SCHEMBL16754348 0.86 CYP2C19 (0.37) CYP2C19PIK3CAHCRTR1HCRTR2MAPT
SCHEMBL16249951 0.84 ABL1 (0.38) CYP2C19PIK3CAMAPTALOX15TSHR
SCHEMBL17618909 0.84 ALOX15 (0.44) CYP2C19MAPTALOX15TSHRCASP1
SCHEMBL16754405 0.83 NR3C2 (0.38) CYP2C19PIK3CAALOX15TSHRCASP1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US claimed

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP2C19 2647/4885PIK3CA 3691/4885HCRTR1 2303/4885

“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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