SCHEMBL19365829

SCHEMBL19365829

COc1cc(NC(=O)N(c2nc(-c3cccc(C(F)(F)F)c3)ccc2N)C2CC[C@H]2O)ncn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.39
▸ MAPK14 Q16539 10/20 0.39
▸ TNNI3K Q59H18 10/20 0.39
▸ BRAF P15056 10/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ KMO O15229 1/20 0.34

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
SCHEMBL19365657 0.90 NPC1 (0.38) PIK3CDPIK3CAPIK3CGKDM1AKMO
SCHEMBL19670449 0.89 KDR (0.40) KDRMAPK14TNNI3KBRAFPIK3CD
SCHEMBL19365601 0.89 CNR1 (0.36) —
SCHEMBL19365769 0.86 MPL (0.43) KDRMAPK14TNNI3KBRAFPIK3CD
SCHEMBL19670563 0.83 ALOX15 (0.44) KDRPIK3CDPIK3CAPIK3CGKDM1A
SCHEMBL19365643 0.82 KMO (0.36) PIK3CDPIK3CAPIK3CGKDM1AKMO
SCHEMBL19365509 0.81 PHGDH (0.38) PIK3CDPIK3CAPIK3CGEGFRKDM1A
SCHEMBL19365791 0.80 FGFR4 (0.34) KDRMAPK14TNNI3KBRAF
SCHEMBL19365862 0.79 KDM1A (0.40) PIK3CDPIK3CAPIK3CGKDM1AKMO
SCHEMBL19365786 0.79 RHOA (0.37) MAPK14BRAFPIK3CDPIK3CAPIK3CG

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 3 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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDR 1697/4885MAPK14 2116/4885TNNI3K 1750/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDR 1697/4885MAPK14 2116/4885TNNI3K 1750/4885

“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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