SCHEMBL17618502

SCHEMBL17618502

COc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@@H]2CCN3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ MTOR P42345 3/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ SCD O00767 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2B P29275 1/20 0.38

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
SCHEMBL19706216 1.00 NEK2 (0.44) NEK2MAPTMAPK1HTTALDH1A1
SCHEMBL17618440 0.91 ABL1 (0.40) SCDKITGSK3B
SCHEMBL17618391 0.90 SCD (0.41) HPGDSSCD
SCHEMBL17618508 0.88 NEK2 (0.44) NEK2MAPTMAPK1HTTALDH1A1
SCHEMBL17618499 0.88 GRM5 (0.39) MAPTSMN1; SMN2GRM5SCDF10
SCHEMBL17618376 0.88 GRM5 (0.39) MAPTSMN1; SMN2GRM5SCDF10
SCHEMBL17618452 0.88 MAPK14 (0.35) NEK2HPGDSPIK3CAMTORSCD
SCHEMBL19361168 0.87 VCP (0.39) SCDF10
SCHEMBL17618380 0.87 LPL (0.41) MAPTHTTALDH1A1LMNASMN1; SMN2
SCHEMBL17618500 0.87 LPL (0.41) MAPTHTTALDH1A1LMNASMN1; SMN2

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 NEK2 2096/4885MAPT 303/4885MAPK1 2069/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NEK2 2615/4885MAPT 267/4885MAPK1 2404/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NEK2 2615/4885MAPT 267/4885MAPK1 2404/4885

“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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