SCHEMBL18937802

SCHEMBL18937802

CC(C)(C)Cc1cnc2cn[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
SGK1 O00141 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
JAK2 O60674 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
SLC2A1 P11166 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
NOS1 P29475 1/20 0.30
DYRK1A Q13627 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL20798976 0.86 FGFR3 (0.32)
SCHEMBL23429681 0.79 MAPT (0.35) ROCK2ROCK1JAK2PRKCAPRKCQ
SCHEMBL18937795 0.78 MAPK1 (0.42) PDE10AJAK2
SCHEMBL9968617 0.73 PDE10A (0.62) PDE10AKDM4EMEN1MAPTKMT2A
SCHEMBL18937797 0.72 KDM4E (0.37) KDM4EALDH1A1GAAHPGD
SCHEMBL18937632 0.72 NOS1 (0.37) ROCK2ROCK1JAK2PRKCQKDM4E
SCHEMBL18937634 0.71 MAPK1 (0.54) JAK2
SCHEMBL20798975 0.71
SCHEMBL23502659 0.71 BCHE (0.43) PDE10AKDM4EMEN1MAPTKMT2A
SCHEMBL19153595 0.70 CDK1 (0.46) SGK1SLC2A1KDM4EMAPTHTT

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-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 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-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 PDE10A 295/4885SGK1 2575/4885ROCK2 4028/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 PDE10A 883/4885SGK1 202/4885ROCK2 343/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 PDE10A 883/4885SGK1 202/4885ROCK2 343/4885

“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.