SCHEMBL405877

SCHEMBL405877

Cc1cc(N)c(I)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.65
CYP3A4 P08684 5/20 0.43
TSHR P16473 4/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.38
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NPC1 O15118 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
CASP1 P29466 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
SCHEMBL404666 0.91 CD44 (0.65) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL841555 0.79 CYP3A4 (0.55) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL404439 0.79 CD44 (1.00) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL2766461 0.79 GAA (0.53) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL30561864 0.79 CYP3A4 (0.55) CD44CYP3A4TSHRMAPK1GAA
Hydrochloric Acid SCHEMBL7676240 0.77 CD44 (0.94) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL943759 0.77 CD44 (0.75) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL203360 0.77 CD44 (0.75) CD44CYP3A4TSHRMAPK1GAA
SCHEMBL14162640 0.77 CD44 (0.46) CD44CYP3A4GAAGRIN2DGRIN3B
SCHEMBL19931888 0.77 CD44 (0.46) CD44CYP3A4GAAGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514791-A1 SUBSTITUTED 6- (PYRIMIDIN-4-YL) QUINOLINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS BeiGene, Ltd. (KY) 2025-03-05 EP disclosed
CN-119095840-A Substituted 6- (pyrimidin-4-yl) quinoline compounds as cyclin dependent kinase inhibitors 百济神州有限公司 2024-12-06 CN disclosed
US-20240300937-A1 Substituted 6-(Pyrimidin-4-yl)Quinoline Compounds as Cyclin Dependent Kinase Inhibitors BEIGENE, LTD. (KY) 2024-09-12 US disclosed
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 EP disclosed
WO-2023208173-A1 SUBSTITUTED 6- (PYRIMIDIN-4-YL) QUINOLINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS BEIGENE , LTD. (KY) 2023-11-02 WO disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
WO-2014152588-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2014-09-25 WO disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (8 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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885TSHR 3799/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885TSHR 3799/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885TSHR 3799/4885
US-20240300937-A1 Substituted 6-(Pyrimidin-4-yl)Quinoline Compounds as Cyclin Dependent Kinase Inhibitors CDK4, CDK6, CDK2 CD44 4704/4885CYP3A4 2327/4885TSHR 3218/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885CYP3A4 2376/4885TSHR 82/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885TSHR 3799/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885CYP3A4 2376/4885TSHR 82/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885TSHR 3799/4885

“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.