SCHEMBL17618572

SCHEMBL17618572

COc1cc(NC(=O)N2c3nc(-c4cncc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ SCN10A Q9Y5Y9 4/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.34
▸ KDR P35968 4/20 0.34
▸ TEK Q02763 4/20 0.34
▸ LCK P06239 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ BRAF P15056 4/20 0.34
▸ HPGDS O60760 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
SCHEMBL17618618 0.96 FGFR4 (0.38) ABL1FAAHFGFR4SCN10ADYRK1A
SCHEMBL17618367 0.90 FAAH (0.41) ABL1FAAHFGFR4KDRBRAF
SCHEMBL19706218 0.90 FAAH (0.41) ABL1FAAHFGFR4KDRBRAF
SCHEMBL17618529 0.89 FAAH (0.38) ABL1FAAHFGFR4DYRK1ACYP2C9
SCHEMBL17618552 0.87 ABL1 (0.38) ABL1FAAHSCN10ADYRK1ACYP2C19
SCHEMBL17618838 0.87 FAAH (0.36) ABL1FAAHFGFR4SCN10ADYRK1A
SCHEMBL19365762 0.86 FAAH (0.40) ABL1FAAHFGFR4KDRBRAF
SCHEMBL17618373 0.86 FAAH (0.40) ABL1FAAHFGFR4KDRBRAF
SCHEMBL17618632 0.86 FGFR4 (0.39) ABL1FAAHFGFR4DYRK1A
SCHEMBL17618449 0.86 HPGDS (0.38) FAAHFGFR4CYP2C19HPGDS

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 7 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-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 ABL1 3987/4885FAAH 1092/4885FGFR4 2275/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885FAAH 977/4885FGFR4 1754/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885FAAH 977/4885FGFR4 1754/4885

“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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