SCHEMBL19365332

SCHEMBL19365332

COc1cc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3C3CCCC32)ncn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ MAPK14 Q16539 4/20 0.39
▸ TNNI3K Q59H18 4/20 0.39
▸ BRAF P15056 5/20 0.38
▸ KDM1A O60341 3/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB4 Q15303 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ F2RL3 Q96RI0 1/20 0.36

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
SCHEMBL19365343 0.89 NPC1 (0.40) KDM1AMAOAMAOBMAPTF2RL3
SCHEMBL19365759 0.87 FGFR4 (0.41) FGFR4FAAHCSNK1DCSNK1EMAPT
SCHEMBL19365260 0.86 KMO (0.39) KDRKDM1AMAOAMAOBMAPT
SCHEMBL19365324 0.85 MPL (0.44) KDM1AMAOAMAOBMAPT
SCHEMBL19365257 0.84 PHGDH (0.46) KDM1AMAOAMAOBMAPT
SCHEMBL19365576 0.84 KDM1A (0.41) KDM1AMAOAMAOBMAPT
SCHEMBL17618799 0.82 FAAH (0.39) KDRFGFR4FAAHMAPK14TNNI3K
SCHEMBL17624236 0.82 FAAH (0.39) KDRFGFR4FAAHMAPK14TNNI3K
SCHEMBL19365318 0.82 ALOX15 (0.46) KDRFAAHKDM1AMAOAMAOB
SCHEMBL19365345 0.82 KDM1A (0.39) FGFR4KDM1AMAOAMAOB

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 4 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-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

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 1697/4885FGFR4 1754/4885FAAH 977/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDR 1697/4885FGFR4 1754/4885FAAH 977/4885

“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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