SCHEMBL17624567

SCHEMBL17624567

CCCn1cc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 7/20 0.39
▸ LRRK2 Q5S007 7/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ SCD O00767 4/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ FGFR1 P11362 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL17624529 0.85 KIT (0.39) —
SCHEMBL16249961 0.84 IRAK4 (0.37) IRAK4MAPT
SCHEMBL17618385 0.83 MAPT (0.41) CLK2LRRK2SCN5ASCDDDR2
SCHEMBL16238528 0.82 IDH2 (0.37) —
Trifluoroacetic Acid SCHEMBL16238266 0.82 IRAK4 (0.36) IRAK4MAPT
SCHEMBL17624650 0.82 AURKA (0.36) —
SCHEMBL17624400 0.82 CA2 (0.36) —
SCHEMBL17618769 0.82 RHOA (0.40) MAPT
SCHEMBL17624518 0.81 KMT2A (0.36) ADORA2AMAPT
SCHEMBL17618359 0.81 KMT2A (0.39) KCNH2ADORA2AMAPT

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 7 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-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 CLK2 575/4885LRRK2 657/4885SCN5A 3828/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CLK2 712/4885LRRK2 533/4885SCN5A 3593/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CLK2 712/4885LRRK2 533/4885SCN5A 3593/4885

“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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