SCHEMBL16776145

SCHEMBL16776145

C[C@@H]1CCCNc2ccc(-c3cncc(C(F)(F)F)c3)nc2N1C(=O)Nc1cncc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.35
▸ DYRK1A Q13627 5/20 0.34
▸ CLK2 P49760 3/20 0.34
▸ CLK3 P49761 3/20 0.34
▸ CTPS1 P17812 3/20 0.33
▸ WNT1 P04628 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ SLC5A1 P13866 2/20 0.32
▸ AR P10275 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PIM1 P11309 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
SCHEMBL16775854 0.92 SLC5A1 (0.37) SLC5A1
SCHEMBL16776236 0.90 PRMT5 (0.38) DYRK1ACLK2CLK3AR
SCHEMBL16776261 0.88 ABL1 (0.37) DYRK1ACLK2CLK3CTPS1SCN10A
SCHEMBL16776115 0.87 PIM1 (0.34) DYRK1ACLK2CLK3CTPS1WNT1
SCHEMBL16776207 0.86 GSK3B (0.37) DYRK1ACLK2CLK3
SCHEMBL16776148 0.85 GABRA1 (0.38) TRPV3DYRK1AWNT1PARP10PARP11
SCHEMBL19670602 0.83 SMN1; SMN2 (0.37) SLC5A1
SCHEMBL16785576 0.83 HTR2A (0.41) ARHTR2AHTR2C
SCHEMBL16776238 0.83 ABL1 (0.37) HTR2AHTR2CHTR2B
SCHEMBL16776168 0.82 DYRK1A (0.38) DYRK1AWNT1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV3 4093/4885DYRK1A 2623/4885CLK2 712/4885

“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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