SCHEMBL17618631

SCHEMBL17618631

COc1cc(NC(=O)N2c3nc(-c4cncc(Cl)c4)ccc3N3CCC[C@H]2C3)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ LMNA P02545 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
SCHEMBL17618529 0.95 FAAH (0.38) FGFR4FAAHPDGFRBPDGFRARPS6KA2
SCHEMBL17618734 0.92 FGFR4 (0.40) FGFR4FAAHALDH1A1CYP1A2CYP3A4
SCHEMBL17618632 0.91 FGFR4 (0.39) FGFR4FAAHCYP3A4RPS6KA2KCNH2
SCHEMBL17618750 0.91 FAAH (0.39) FGFR4FAAHPDGFRBPDGFRARPS6KA2
SCHEMBL17618634 0.90 FAAH (0.41) FGFR4FAAHPDGFRBALDH1A1CYP1A2
SCHEMBL17618663 0.89 FAAH (0.42) FGFR4FAAHCYP1A2CYP3A4CYP2C19
SCHEMBL17618618 0.89 FGFR4 (0.38) FGFR4FAAHCYP1A2HCRTR1HCRTR2
SCHEMBL17618693 0.87 FGFR4 (0.40) FGFR4FAAHALDH1A1CYP1A2CYP3A4
SCHEMBL17618425 0.85 FAAH (0.42) FGFR4FAAHPDGFRBSMN1; SMN2HCRTR1
SCHEMBL17618642 0.84 DGAT2 (0.36) FAAHMAPTDGAT2

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 8 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-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 FGFR4 2275/4885FAAH 1092/4885PDGFRB 2694/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1754/4885FAAH 977/4885PDGFRB 2582/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FGFR4 1754/4885FAAH 977/4885PDGFRB 2582/4885

“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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