SCHEMBL17618496

SCHEMBL17618496

Cn1cc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3N3CC[C@H]2C3)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 2/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ TRPV3 Q8NET8 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ CNR1 P21554 4/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ SYK P43405 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
SCHEMBL17618429 0.89 LRRK2 (0.40) CLK2LRRK2IRAK4JAK2CNR1
SCHEMBL17618503 0.87 CREBBP (0.37) TRPV3JAK2CNR1CNR2HRH3
SCHEMBL17618385 0.86 MAPT (0.41) CLK2LRRK2JAK2JAK1TYK2
SCHEMBL17618486 0.86 LRRK2 (0.38) CLK2LRRK2IRAK4JAK2JAK1
SCHEMBL17618492 0.86 ABL1 (0.42) JAK2CNR1CNR2ABL1BCR
SCHEMBL19365418 0.85 CLK2 (0.39) CLK2LRRK2IRAK4TRPV3HCRTR2
SCHEMBL19361169 0.85 SMPD3 (0.35) TRPV3CARM1PRMT6PRMT8JAK2
SCHEMBL19670592 0.85 CLK2 (0.36) CLK2LRRK2IRAK4JAK2HRH3
SCHEMBL17618372 0.85 IDH2 (0.40) CLK2LRRK2JAK2JAK1TYK2
SCHEMBL17618495 0.85 TRPV3 (0.37) TRPV3CARM1PRMT6PRMT8JAK2

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 CLK2 575/4885LRRK2 657/4885IRAK4 3208/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CLK2 712/4885LRRK2 533/4885IRAK4 2599/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CLK2 712/4885LRRK2 533/4885IRAK4 2599/4885

“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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