SCHEMBL17618381

SCHEMBL17618381

COc1nccc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GRM5 P41594 4/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 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
▸ CNR2 P34972 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.35
▸ PDE4D Q08499 2/20 0.34
▸ MALT1 Q9UDY8 2/20 0.34
▸ PDE4A P27815 1/20 0.34

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
SCHEMBL19706206 0.91 CA9 (0.37) CCNE1CDK2NEK2NTRK1MAP4K1
SCHEMBL17618392 0.91 NTRK1 (0.39) CCNE1CDK2HCRTR1HCRTR2NEK2
SCHEMBL17618487 0.89 CARM1 (0.38) NEK2NTRK1MAP4K1EGFRERBB2
SCHEMBL17618423 0.89 P2RY1 (0.39) GRM5HCRTR1HCRTR2STK4STK3
SCHEMBL17618382 0.89 CA2 (0.39) CDK2NEK2KMOSMN1; SMN2EGFR
SCHEMBL17618481 0.89 GPR6 (0.40) GRM5LRRK2PDE4DPDE4APDE4B
SCHEMBL17618386 0.88 PDE4A (0.33) CCNE1CDK2GRM5STK4STK3
SCHEMBL17618476 0.87 ABL1 (0.39) CDK2NEK2PDE4DPDE4APDE4B
SCHEMBL19670254 0.87 NEK2 (0.34) HCRTR1HCRTR2NEK2NTRK1MAP4K1
SCHEMBL17618425 0.86 FAAH (0.42) GRM5HCRTR1HCRTR2STK4STK3

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 CCNE1 2723/4885CDK2 848/4885GRM5 4062/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CCNE1 2553/4885CDK2 610/4885GRM5 3471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CCNE1 2553/4885CDK2 610/4885GRM5 3471/4885

“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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