SCHEMBL17618495

SCHEMBL17618495

O=C(Nc1cncc(F)c1)N1c2nc(-c3cccc(N4CCCC4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.37
▸ CNR1 P21554 5/20 0.37
▸ CNR2 P34972 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ VCP P55072 2/20 0.33
▸ KIT P10721 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 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
SCHEMBL17618557 0.93 CNR1 (0.33) CNR1ABL1VCPPRKCIPRKCA
SCHEMBL17618559 0.93 CNR1 (0.33) CNR1ABL1VCPPRKCIPRKCA
SCHEMBL17618757 0.92 ATR (0.40) TRPV3SYKKITCAMK2DPRKCA
SCHEMBL17618571 0.90 PIM2 (0.33) ABL1TRPV1
SCHEMBL17618549 0.90 SCN10A (0.34) TRPV3ABL1SYKJAK2CHRNB4
SCHEMBL17618492 0.89 ABL1 (0.42) CNR1CNR2ABL1BCRCAMK2D
SCHEMBL19670176 0.89 CNR1 (0.36) CNR1CNR2CHRNB4CHRNA3
SCHEMBL17618507 0.89 CNR1 (0.36) CNR1CNR2CHRNB4CHRNA3
SCHEMBL17618432 0.89 CNR1 (0.36) CNR1CNR2CHRNB4CHRNA3
SCHEMBL19699058 0.89 USP2 (0.35) —

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 9 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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV3 4464/4885CNR1 3355/4885CNR2 3123/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV3 4093/4885CNR1 2946/4885CNR2 2514/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV3 4093/4885CNR1 2946/4885CNR2 2514/4885

“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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