SCHEMBL17618601

SCHEMBL17618601

COc1cncc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 2/20 0.38
▸ NEK2 P51955 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PIK3CA P42336 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 0.90 GRM5 (0.36) NEK2CNR1MAPTMAPK1HCRTR2
SCHEMBL17618442 0.89 FAAH (0.41) POLQNEK2CNR1HCRTR2TRPV3
SCHEMBL17618490 0.88 GPR6 (0.40) NEK2BRAF
SCHEMBL19670287 0.88 PHGDH (0.38) TP53MAPTTSHRMAPK1
SCHEMBL17618487 0.87 CARM1 (0.38) POLQNEK2CNR1ROCK2ROCK1
SCHEMBL19699047 0.87 FGFR1 (0.40) POLQNEK2CNR1MAPTTSHR
SCHEMBL17618501 0.87 KARS1 (0.44) POLQTSHRMAPK1CARM1PRMT6
SCHEMBL17618494 0.87 HPGDS (0.39) NEK2MAPK1ABL1IRAK4DYRK1A
SCHEMBL19706067 0.87 NEK2 (0.34) NEK2FFAR4PIK3CAMTORDYRK1A
SCHEMBL19670391 0.87 NEK2 (0.34) NEK2FFAR4PIK3CAMTORDYRK1A

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 POLQ 2337/4885NEK2 2096/4885CNR1 3355/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 POLQ 2242/4885NEK2 2615/4885CNR1 2946/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 POLQ 2242/4885NEK2 2615/4885CNR1 2946/4885

“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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