SCHEMBL17618663

SCHEMBL17618663

COc1cc(NC(=O)N2c3nc(-c4cccnc4)ccc3N3CCC[C@H]2C3)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.42
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PIM1 P11309 6/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ KIT P10721 4/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ GSK3B P49841 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
SCHEMBL17618734 0.91 FGFR4 (0.40) FAAHPIM2FGFR4CYP1A2LRRK2
SCHEMBL17618693 0.90 FGFR4 (0.40) FAAHFGFR4CYP1A2CYP3A4TSHR
SCHEMBL17618631 0.89 FGFR4 (0.39) FAAHFGFR4CYP1A2CYP3A4TSHR
SCHEMBL17618632 0.89 FGFR4 (0.39) FAAHPIM2FGFR4CYP3A4CYP2D6
SCHEMBL17618634 0.89 FAAH (0.41) FAAHFGFR4CYP1A2LRRK2CYP3A4
SCHEMBL17618720 0.88 ABL1 (0.39) FAAHPIM2FGFR4PIM1RPS6KA2
SCHEMBL17618618 0.88 FGFR4 (0.38) FAAHFGFR4CYP1A2HTR2CHTR2B
SCHEMBL17618613 0.87 FAAH (0.40) FAAHFGFR4LRRK2TSHRHSD17B10
SCHEMBL17618544 0.87 FAAH (0.40) FAAHFGFR4LRRK2TSHRHSD17B10
SCHEMBL17618373 0.87 FAAH (0.40) FAAHFGFR4TSHRHSD17B10CSNK1D

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 FAAH 1092/4885PIM3 3869/4885PIM2 3491/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885PIM3 3489/4885PIM2 3242/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885PIM3 3489/4885PIM2 3242/4885

“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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