SCHEMBL167891

SCHEMBL167891

c1ccc(Nc2ncc3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.60
ROCK1 Q13464 1/20 0.55
CDK2 P24941 4/20 0.54
CDK1 P06493 3/20 0.54
GSK3B P49841 3/20 0.54
IGF1R P08069 2/20 0.54
AURKA O14965 2/20 0.54
PDPK1 O15530 2/20 0.54
JAK2 O60674 2/20 0.54
LYN P07948 2/20 0.54
FGFR1 P11362 2/20 0.54
FGFR3 P22607 2/20 0.54
RPS6KB1 P23443 2/20 0.54
MARK3 P27448 2/20 0.54
BLK P51451 2/20 0.54
RPS6KA3 P51812 2/20 0.54
CDK5 Q00535 2/20 0.54
ERBB4 Q15303 2/20 0.54
MARK2 Q7KZI7 2/20 0.54
PLK3 Q9H4B4 2/20 0.54

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
SCHEMBL27770482 1.00 MAP3K5 (0.60) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL31381352 1.00 MAP3K5 (0.60) MAP3K5ROCK1CDK2CDK1GSK3B
Benzene SCHEMBL28188863 1.00 MAP3K5 (0.60) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL4573935 0.98 MAP3K5 (0.58) MAP3K5ROCK1CDK2CDK1GSK3B
Hydrochloric Acid SCHEMBL8807679 0.98 MAP3K5 (0.58) MAP3K5ROCK1CDK2CDK1GSK3B
Quinoline SCHEMBL28107595 0.90 ALDH1A1 (0.53) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL6467426 0.88 MAP3K5 (0.54) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL3338544 0.86 AURKA (0.57) MAP3K5ROCK1CDK2CDK1GSK3B
SCHEMBL3339632 0.86 NPY5R (0.55) MAP3K5ROCK1CDK2CDK1AURKA
SCHEMBL6037487 0.86 ROCK1 (0.53) MAP3K5ROCK1CDK2CDK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156825-A1 USE OF SELECTIVE VEGFR2 AND FGFR1 INHIBITORS FOUNTAIN THERAPEUTICS INC (US) 2024-05-16 US claimed
WO-2023240271-A1 USE OF VEGFR2 AND FGFR1 INHIBITORS IN THERAPY FOUNTAIN THERAPEUTICS INC. (US) 2023-12-14 WO claimed
CN-114831992-B Application of anilinoquinazoline compound in preparation of medicines for preventing or treating melanoma 浙江工业大学 2023-07-11 CN claimed
CN-114831992-A Application of phenylamino quinazoline compound in preparation of drugs for preventing or treating melanoma 浙江工业大学 2022-08-02 CN claimed
CN-109942500-B Preparation of rhein anilino quinazoline derivatives and anti-tumor application 广西医科大学 2022-06-10 CN claimed
CN-111808117-B Artemisinin-anilino quinazoline D-type derivative, and pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2022-05-24 CN claimed
US-11279982-B2 EGFR assay ABBOTT MOLECULAR INC. (US) 2022-03-22 US claimed
CN-108484632-B Artemisinin-anilinoquinazoline derivatives, and preparation method and application thereof 中国科学院昆明植物研究所 2021-09-10 CN claimed
CN-111518088-B Preparation method and application of aniline quinazoline intermediate 山东创新药物研发有限公司 2021-09-03 CN claimed
CN-111808117-A Artemisinin-anilinoquinazoline D-type derivative, and pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2020-10-23 CN claimed
WO-2005063252-A1 CDK2 ANTAGONISTS AS SHORT FORM C-MAF TRANSCRIPTION FACTOR ANTAGONISTS FOR TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2005-07-14 WO claimed
WO-2005053752-A2 NOVEL IMAGING AGENTS COMPRISING CASPASE-3 INHIBITORS GE HEALTHCARE LIMITED (GB) 2005-06-16 WO claimed
WO-2005037259-A2 METHODS AND COMPOSITIONS FOR THE PREVENTION OR TREATMENT OF NEOPLASIA COMPRISING A COX-2 INHIBITOR IN COMBINATION WITH AN EPIDERMAL GROWTH FACTOR RECEPTOR ANTAGONIST PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
WO-2004069232-A2 EGFR TYROSINE KINASE INHIBITOR FOR TREATING CARDIOVASCULAR DYSFUNCTION UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2004-08-19 WO claimed
WO-2004064718-A2 IRREVERSIBLE INHIBITORS OF EGF RECEPTOR TYROSINE KINASES AND USES THEREOF T.K. SIGNAL LTD. (IL) 2004-08-05 WO claimed
EP-1432816-A2 USE OF ACTIVE SUBSTANCES FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISEASES CAUSED BY CELL GROWTH DISTURBANCES AND TEST SYSTEM FOR DISCOVERY OF SAID ACTIVE SUBSTANCES MedInnova Gesellschaft für medizinische Innovationen aus akademischer Forschung mbH (DE) 2004-06-30 EP claimed
WO-2003027317-A2 USE OF ACTIVE SUBSTANCES FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISEASES CAUSED BY CELL GROWTH DISTURBANCES AND TEST SYSTEM FOR DISCOVERY OF SAID ACTIVE SUBSTANCES MedInnova Gesellschaft für medizinische Innovationen aus akademischer Forschung mbH (DE) 2003-04-03 WO claimed
WO-2001035899-A9 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-09-19 WO claimed
EP-1229925-A2 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2002-08-14 EP claimed
WO-2001035899-A2 INHIBITORS OF HELICOBACTER PYLORI INDUCED GASTROINTESTINAL DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2001-05-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240156825-A1 USE OF SELECTIVE VEGFR2 AND FGFR1 INHIBITORS FGFR1, FRS2, FGFR2 MAP3K5 239/4885ROCK1 789/4885CDK2 2125/4885

“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.