SCHEMBL19699082

SCHEMBL19699082

CC1=C(C)CC(NC(=O)N2c3nc(-c4ccccc4C#N)ccc3N3CCC[C@H]2C3)=C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 3/20 0.35
▸ FPR1 P21462 3/20 0.34
▸ FPR2 P25090 3/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ DPP4 P27487 5/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ PIM1 P11309 2/20 0.32
▸ PIM3 Q86V86 2/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ SMO Q99835 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL17618690 0.84 PIK3CD (0.35) PIM2FPR1FPR2LRRK2UCHL1
SCHEMBL17618668 0.82 CHRM4 (0.36) PIM2LRRK2DPP4UCHL1PIM1
SCHEMBL17618651 0.81 FAAH (0.37) PIM2FPR1FPR2LRRK2DPP4
SCHEMBL17618660 0.81 HTR2C (0.43) PIM2PIM1PIM3
SCHEMBL17618672 0.80 PIM2 (0.38) PIM2LRRK2DPP4UCHL1USP30
SCHEMBL17618667 0.80 PIM2 (0.37) PIM2FPR1FPR2LRRK2DPP4
SCHEMBL17618658 0.79 PIM2 (0.37) PIM2FPR1FPR2LRRK2UCHL1
SCHEMBL17618662 0.79 FAAH (0.39) PIM2LRRK2DPP4
SCHEMBL17618710 0.69 PIM2 (0.40) PIM2PIM1PIM3
SCHEMBL17618726 0.68 ALDH1A1 (0.42) PIM2PIM1PIM3

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-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

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM2 3242/4885FPR1 2573/4885FPR2 3347/4885

“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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