SCHEMBL17618646

SCHEMBL17618646

O=C(Nc1ccncc1F)N1c2nc(-c3ccnc(N4CC[C@H](F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 5/20 0.33
▸ KARS1 Q15046 2/20 0.33
▸ PIM3 Q86V86 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ ATR Q13535 2/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ PRKD1 Q15139 4/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ CFD P00746 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32

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
SCHEMBL19361183 0.88 KARS1 (0.35) PIM2KARS1PIM3LRRK2KLKB1
SCHEMBL17618680 0.88 KARS1 (0.42) KARS1LRRK2PRKD1
SCHEMBL17618657 0.88 KARS1 (0.42) KARS1LRRK2PRKD1
SCHEMBL17618460 0.87 CYP2C19 (0.37) PIM2PIM3PRKD1
SCHEMBL17618681 0.86 KARS1 (0.35) KARS1LRRK2KLKB1KLK1ITGB2
SCHEMBL17618689 0.86 KARS1 (0.35) KARS1LRRK2KLKB1KLK1ITGB2
SCHEMBL17618688 0.85 SCD (0.38) KARS1LRRK2ITGB2ICAM1ITGAL
SCHEMBL17618679 0.85 SCD (0.38) KARS1LRRK2ITGB2ICAM1ITGAL
SCHEMBL17618404 0.85 TRPV1 (0.42) PIM2PIM3PIM1TRPV1GSK3B
SCHEMBL17618666 0.83 KARS1 (0.41) KARS1LRRK2TRPV1ITGB2ICAM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PIM2 3491/4885KARS1 1429/4885PIM3 3869/4885

“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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