SCHEMBL22837869

SCHEMBL22837869

C[C@@H]1CN(c2ccccn2)C[C@H](C)N1C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
GRM1 Q13255 7/20 0.49
GRIN2B Q13224 2/20 0.48
PLD1 Q13393 1/20 0.47
DRD4 P21917 2/20 0.45
HTR1A P08908 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL23875206 1.00 HSD11B1 (0.50) HSD11B1GRM1GRIN2BPLD1DRD4
SCHEMBL23875353 0.83 PLD1 (0.52) HSD11B1GRM1GRIN2BPLD1KDM4E
SCHEMBL19416591 0.81 GRM1 (0.55) GRM1PLD1DRD4KDM4EALDH1A1
SCHEMBL23875155 0.81 KDM4E (0.48) HSD11B1GRM1GRIN2BPLD1DRD4
SCHEMBL15858045 0.81 GRM1 (0.55) GRM1PLD1DRD4KDM4EALDH1A1
SCHEMBL13380529 0.81 GRM1 (0.55) GRM1PLD1DRD4KDM4EALDH1A1
SCHEMBL28768958 0.80 HSD11B1 (0.49) HSD11B1GRM1GRIN2BPLD1DRD4
SCHEMBL28768957 0.80 HSD11B1 (0.62) HSD11B1GRM1GRIN2BKDM4EALDH1A1
SCHEMBL29991351 0.80 GRIN2B (0.49) HSD11B1GRM1GRIN2BPLD1KDM4E
SCHEMBL26972296 0.79 GRM1 (0.47) HSD11B1GRM1GRIN2BPLD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-11547703-B2 Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and the use thereof Impact Therapeutics (Shanghai), Inc (CN) 2023-01-10 US disclosed
WO-2021194878-A1 SELECTIVE MODULATORS OF MUTANT LRRK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-09-30 WO disclosed
US-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2021-05-06 US disclosed
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 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 (4 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-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof CHEK2, CHEK1, ATM HSD11B1 2021/4885GRM1 2650/4885GRIN2B 2011/4885
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof CHEK1, CHEK2, CDK1 HSD11B1 2692/4885GRM1 2546/4885GRIN2B 2082/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN HSD11B1 4671/4885GRM1 711/4885GRIN2B 596/4885
US-11547703-B2 Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and the use thereof CHEK2, CHEK1, ATM HSD11B1 2021/4885GRM1 2650/4885GRIN2B 2011/4885

“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.