SCHEMBL16636882

SCHEMBL16636882

Clc1ccccc1-c1cc2c(NC3CCNCC3)n[nH]c2cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.53
CLK4 Q9HAZ1 3/20 0.53
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK14 Q16539 4/20 0.46
MCHR1 Q99705 3/20 0.44
MAPK1 P28482 2/20 0.43
GSK3B P49841 2/20 0.42
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK8 P45983 2/20 0.40
PIM1 P11309 1/20 0.40
MAPK9 P45984 1/20 0.40
IRAK4 Q9NWZ3 1/20 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
SCHEMBL21302112 0.80 MCHR1 (0.45) CYP1A2MCHR1GSK3BCDK1CDK2
SCHEMBL29766081 0.80 FGFR4 (0.51) MCHR1GSK3BCDK1CDK2
SCHEMBL16636976 0.80 FGFR4 (0.51) MCHR1GSK3BCDK1CDK2
SCHEMBL18548038 0.70 CNR1 (0.68) MCHR1
SCHEMBL17833927 0.69 GSK3B (0.53) CYP1A2MCHR1GSK3BCDK1CDK2
SCHEMBL18548006 0.68 MCHR1 (0.52) MCHR1
SCHEMBL12786062 0.68 HSD17B10 (0.45) CYP1A2CLK4CYP2D6CYP2C19MAPK1
SCHEMBL28130595 0.68 CYP1A2 (0.62) CYP1A2CLK4CYP2D6CYP2C19MEN1
SCHEMBL12846335 0.66 MCHR1 (0.46) MCHR1
SCHEMBL1461079 0.66 GSK3B (0.56) CYP1A2MAPK1GSK3BCDK1CDK2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20220242875-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2022-08-04 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 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 (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-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP1A2 4341/4885CLK4 1579/4885CYP2D6 4430/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP1A2 1845/4885CLK4 598/4885CYP2D6 1911/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 1845/4885CLK4 598/4885CYP2D6 1911/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CLK4 1823/4885CYP2D6 2915/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CLK4 1823/4885CYP2D6 2915/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CLK4 1823/4885CYP2D6 2915/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CLK4 1823/4885CYP2D6 2915/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CLK4 1823/4885CYP2D6 2915/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS CYP1A2 4679/4885CLK4 3224/4885CYP2D6 4491/4885

“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.