SCHEMBL17618501

SCHEMBL17618501

O=C(Nc1cnccn1)N1c2nc(-c3cccc(N4CCCC4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.44
▸ DHFR P00374 1/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ BCR P11274 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ PRMT8 Q9NR22 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ POLQ O75417 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ CYP1A2 P05177 2/20 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
SCHEMBL16238804 0.92 KARS1 (0.41) KARS1DHFRFAAHCARM1PRMT6
SCHEMBL16238803 0.92 KARS1 (0.41) KARS1DHFRFAAHCARM1PRMT6
SCHEMBL17618546 0.92 KARS1 (0.41) KARS1DHFRFAAHCARM1PRMT6
SCHEMBL17618759 0.92 PRKCA (0.41) KARS1CAMK2DJAK2PRKCAPRKCQ
SCHEMBL17618445 0.90 VCP (0.44) KARS1DHFRFAAHCAMK2DCARM1
SCHEMBL17618567 0.89 KARS1 (0.41) KARS1DHFRABL1FAAHCARM1
SCHEMBL17618493 0.89 DHFR (0.39) KARS1DHFRABL1BCRFAAH
SCHEMBL17618521 0.89 KARS1 (0.39) KARS1DHFRFAAHJAK2SIRT2
SCHEMBL17618424 0.89 GRM5 (0.44) KARS1FAAHSIRT2SMN1; SMN2MEN1
SCHEMBL17618492 0.88 ABL1 (0.42) ABL1BCRFAAHCAMK2DJAK2

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 KARS1 1429/4885DHFR 2378/4885ABL1 3987/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885DHFR 2566/4885ABL1 4089/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KARS1 1760/4885DHFR 2566/4885ABL1 4089/4885

“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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