SCHEMBL17618438

SCHEMBL17618438

COc1cnc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3N3CC[C@H]2C3)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.39
▸ GRM5 P41594 4/20 0.38
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ STK4 Q13043 1/20 0.36
▸ STK3 Q13188 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ TNF P01375 3/20 0.34
▸ LITAF Q99732 3/20 0.34
▸ POLQ O75417 1/20 0.34
▸ SMPD3 Q9NY59 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 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
SCHEMBL17618435 0.89 GRM5 (0.36) GRM5HCRTR1HCRTR2STK4STK3
SCHEMBL17618425 0.89 FAAH (0.42) GRM5HCRTR1HCRTR2MALT1STK4
SCHEMBL17618423 0.88 P2RY1 (0.39) GRM5HCRTR1HCRTR2STK4STK3
SCHEMBL17618717 0.87 SMO (0.38) SMOPOLQSMPD3PIK3CAMTOR
SCHEMBL17618381 0.86 CCNE1 (0.37) GRM5HCRTR1HCRTR2MALT1STK4
SCHEMBL17618424 0.85 GRM5 (0.44) GRM5STK4STK3LRRK2RAB9A
SCHEMBL17618376 0.85 GRM5 (0.39) GRM5STK4STK3LRRK2RAB9A
SCHEMBL17618499 0.85 GRM5 (0.39) GRM5STK4STK3LRRK2RAB9A
SCHEMBL17618634 0.85 FAAH (0.41) GRM5HCRTR1HCRTR2STK4STK3
SCHEMBL16776254 0.84 FAAH (0.43) GRM5HCRTR1HCRTR2MALT1STK4

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 SMO 3702/4885GRM5 4062/4885HCRTR1 2630/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMO 3597/4885GRM5 3471/4885HCRTR1 2303/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SMO 3597/4885GRM5 3471/4885HCRTR1 2303/4885

“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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