SCHEMBL20437600

SCHEMBL20437600

Brc1ccc2cnn(PI)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.40
FGFR1 P11362 2/20 0.36
FGFR4 P22455 2/20 0.36
NOS1 P29475 2/20 0.34
METAP2 P50579 2/20 0.34
DYRK1A Q13627 1/20 0.34
NPM1 P06748 1/20 0.33
ALK Q9UM73 1/20 0.33
CYP2A6 P11509 1/20 0.32
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
MAP3K14 Q99558 1/20 0.32
BACE1 P56817 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
CSNK2A1 P68400 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL20176165 0.86 HDAC8 (0.39) KMOIRAK4NOS1METAP2DYRK1A
SCHEMBL22753215 0.79 HTR2A (0.49) KMOCDC7CDK2CYP1A2MEN1
SCHEMBL23219914 0.72 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL22753166 0.72 HTR2A (0.33)
SCHEMBL29427078 0.72 KMO (0.55) KMOIRAK4FGFR1FGFR4NOS1
SCHEMBL27159441 0.72 KMO (0.51) KMOIRAK4FGFR1FGFR4NOS1
SCHEMBL422886 0.72 KMO (0.55) KMOIRAK4FGFR1FGFR4NOS1
SCHEMBL23986862 0.71
SCHEMBL21726306 0.69 ABL1 (0.44) CYP2A6CYP1A2CYP2C19CYP11B1CYP11B2
SCHEMBL30817517 0.69 KMO (0.60) KMOIRAK4FGFR1FGFR4NPM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-10858367-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-08 US disclosed
WO-2018137593-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO 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-10858367-B2 Compounds LRRK2, PARK7, PINK1 KMO 2090/4885IRAK4 2131/4885FGFR1 3716/4885
US-20230312466-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 KMO 3812/4885IRAK4 3757/4885FGFR1 789/4885
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 KMO 913/4885IRAK4 1441/4885FGFR1 1289/4885

“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.