SCHEMBL10168099

SCHEMBL10168099

CC(C)c1nc(-c2ccccc2)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
PKM P14618 3/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
TLR8 Q9NR97 2/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A3 P47895 2/20 0.40

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
SCHEMBL370296 0.86 IRAK4 (0.48) PDE10AALDH1A1KDM4EPKMMAPT
SCHEMBL13510044 0.75 F7 (0.38) PDE10AALDH1A1KMT2A
SCHEMBL8830111 0.75 KDM4E (0.49) PDE10AALDH1A1KDM4EPKMMAPT
SCHEMBL724249 0.75 PDE3B (0.55) PDE10AALDH1A1KDM4EPKMMAPT
SCHEMBL14845272 0.73 ALDH1A1 (0.44) PDE10AALDH1A1KDM4EPKMMAPT
SCHEMBL5318358 0.73 ALDH1A1 (0.63) PDE10AALDH1A1KDM4EPKMMAPT
SCHEMBL8830107 0.73 ALDH1A1 (0.44) PDE10AALDH1A1KDM4EPKMMAPT
SCHEMBL974081 0.73 NPC1 (0.47) PDE10AALDH1A1KDM4EPKMMAPT
SCHEMBL10168098 0.73 ALDH1A1 (0.46) PDE10AALDH1A1KDM4EMAPTKMT2A
SCHEMBL15113435 0.71 IRAK4 (0.40) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 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 (2 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-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI PDE10A 2582/4885ALDH1A1 74/4885KDM4E 645/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 594/4885ALDH1A1 312/4885KDM4E 2437/4885

“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.