SCHEMBL29935573

SCHEMBL29935573

Cc1cn2c(C)cnc(C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.38
CDK4 P11802 2/20 0.36
CCND3 P30281 2/20 0.36
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TGFBR1 P36897 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
AHR P35869 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL25948848 0.83 CDK4 (0.33) PDE10ACDK4CCND3TGFBR1
SCHEMBL26254231 0.76 ADORA2A (0.42) CDK4CCND3ALDH1A1HPGDHSD17B10
SCHEMBL20934626 0.76 CDK4 (0.31) CDK4CCND3TGFBR1
SCHEMBL10277288 0.76 PDE10A (0.44) PDE10A
SCHEMBL19576038 0.73 CDK4 (0.33) CDK4CCND3ALDH1A1HPGDHSD17B10
SCHEMBL26254227 0.73 IKBKB (0.47)
SCHEMBL26254233 0.73 IKBKB (0.40) PDE10ACDK4CCND3ADORA3ADORA2A
SCHEMBL14341749 0.70 ADORA2A (0.33) CDK4CCND3ALDH1A1HPGDHSD17B10
SCHEMBL15918975 0.68 PDE10A (0.36) PDE10A
SCHEMBL19578966 0.67 KDM4E (0.46) ALDH1A1HPGDHSD17B10NPC1MAPT

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-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-11597728-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-03-07 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20220315583-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 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 (9 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 594/4885CDK4 2330/4885CCND3 3346/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 794/4885CDK4 2404/4885CCND3 3071/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH PDE10A 1367/4885CDK4 3639/4885CCND3 2981/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 594/4885CDK4 2330/4885CCND3 3346/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PDE10A 794/4885CDK4 2404/4885CCND3 3071/4885
US-11597728-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PDE10A 794/4885CDK4 2404/4885CCND3 3071/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 794/4885CDK4 2404/4885CCND3 3071/4885
US-20220315583-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP PDE10A 794/4885CDK4 2404/4885CCND3 3071/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP PDE10A 594/4885CDK4 2330/4885CCND3 3346/4885

“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.