SCHEMBL17618881

SCHEMBL17618881

NCC#Cc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)cc(-c2cnco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.40
▸ LCK P06239 5/20 0.33
▸ TEK Q02763 5/20 0.33
▸ KDR P35968 4/20 0.33
▸ IDH2 P48735 5/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CCR3 P51677 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ FES P07332 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ FGR P09769 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ CSK P41240 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ UCHL1 P09936 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
SCHEMBL16238473 0.96 RHOA (0.38) RHOALCKTEKKDRIDH2
SCHEMBL16249994 0.91 RHOA (0.40) RHOALCKTEKKDRIDH2
SCHEMBL17624671 0.91 RHOA (0.38) RHOAIDH2CA2CA9CCR3
SCHEMBL16775800 0.90 RHOA (0.38) RHOALCKTEKKDRCA2
SCHEMBL17618879 0.89 RHOA (0.38) RHOAIDH2CA2CA9TRPV1
SCHEMBL19365585 0.89 RHOA (0.40) RHOALCKTEKKDRIDH2
SCHEMBL16785596 0.88 RHOA (0.37) RHOAKDRCA2CA9CCR3
SCHEMBL17618882 0.87 RHOA (0.42) RHOAIDH2CA2CA9CCR3
SCHEMBL19706159 0.87 RHOA (0.36) RHOALCKTEKKDRCA2
SCHEMBL16238714 0.86 RHOA (0.43) RHOAIDH2CA2CA9LMNA

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 RHOA 4858/4885LCK 2933/4885TEK 1398/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885LCK 2894/4885TEK 1149/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RHOA 4798/4885LCK 2894/4885TEK 1149/4885

“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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