SCHEMBL676613

SCHEMBL676613

N#Cc1cnc2ccccc2c1Nc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.78
RAF1 P04049 6/20 0.78
LRRK2 Q5S007 1/20 0.62
KDM1A O60341 1/20 0.54
EGFR P00533 6/20 0.54
ERBB2 P04626 6/20 0.54
STK4 Q13043 1/20 0.50

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
SCHEMBL29556194 1.00 MAP2K1 (0.78) MAP2K1RAF1LRRK2KDM1AEGFR
SCHEMBL6691519 0.90 MAP2K1 (0.68) MAP2K1RAF1LRRK2EGFRERBB2
Quinoline SCHEMBL28280298 0.89 MAP2K1 (0.65) MAP2K1RAF1LRRK2KDM1AEGFR
SCHEMBL27707570 0.88 MAP2K1 (1.00) MAP2K1RAF1LRRK2ERBB2
SCHEMBL6830483 0.87 MAP2K1 (0.62) MAP2K1RAF1LRRK2EGFRERBB2
SCHEMBL868127 0.85 MAP2K1 (0.60) MAP2K1RAF1LRRK2EGFRERBB2
SCHEMBL6380413 0.85 MAP2K1 (0.66) MAP2K1RAF1LRRK2KDM1AEGFR
SCHEMBL27728068 0.85 EGFR (0.68) MAP2K1RAF1LRRK2EGFRERBB2
SCHEMBL27459387 0.85 EGFR (0.72) MAP2K1RAF1EGFRERBB2
SCHEMBL31297107 0.85 MAP2K1 (0.80) MAP2K1RAF1LRRK2EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115990181-A Antitumor combinations of 4-anilino-3-cyanoquinoline and capecitabine 惠氏有限责任公司 2023-04-21 CN claimed
CN-113209121-A Antitumor combination of 4-anilino-3-cyanoquinoline and capecitabine 惠氏有限责任公司 2021-08-06 CN claimed
CN-109464445-A The antineoplastic combinations of 4- anilino- -3- cyano quinolines and capecitabine 惠氏有限责任公司 2019-03-15 CN claimed
JP-2011529968-A 2011-12-15 JP claimed
CN-102202667-A Antitumor combination of 4-anilino-3-cyanoquinoline and capecitabine WYETH CORP 2011-09-28 CN claimed
EP-2326329-A1 ANTINEOPLASTIC COMBINATIONS OF 4-ANILINO-3-CYANOQUINOLINES AND CAPECITABINE Wyeth LLC (US) 2011-06-01 EP claimed
US-20100113474-A1 Antineoplastic Combinations of 4-Anilino-3-Cyanoquinolines and Capecitabine WYETH (US) 2010-05-06 US claimed
WO-2010017163-A1 ANTINEOPLASTIC COMBINATIONS OF 4-ANILINO-3-CYANOQUINOLINES AND CAPECITABINE WYETH (US) 2010-02-11 WO claimed
EP-1567160-A4 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION SCRIPPS RESEARCH INST (US) 2009-06-10 EP claimed
CN-101420979-A Method of treatment of myocardial infarction SCRIPPS RESEARCH INST (US) 2009-04-29 CN claimed
US-20080200481-A1 Method of treatment of myocardial infarction THE SCRIPPS RESEARCH INSTITUTE 2008-08-21 US claimed
EP-1744735-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION The Scripps Research Institute (US) 2007-01-24 EP claimed
US-20060258686-A1 Method of treatment of myocardial infarction NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-11-16 US claimed
US-20060167021-A1 Inhibition of src for treatment of reperfusion injury related to revascularization CARITAS ST. ELIZABETH'S MEDICAL CENTER OF BOSTON, INC. (US) 2006-07-27 US claimed
CN-1738624-A Method of treatment of myocardial infarction SCRIPPS RESEARCH INST (US) 2006-02-22 CN claimed
WO-2005089366-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-29 WO claimed
EP-1567160-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION The Scripps Research Institute (US) 2005-08-31 EP claimed
US-20040214836-A1 Method of treatment of myocardial infarction NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-28 US claimed
WO-2004045563-A2 METHOD OF TREATMENT OF MYOCARDIAL INFARCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2004-06-03 WO claimed
WO-2004032709-A2 INHIBITION OF SRC FOR TREATMENT OF REPERFUSION INJURY RELATED TO REVASCULARIZATION CARITAS ST.ELISABETH'S MEDICAL CENTER OF BOSTON, INC. (US) 2004-04-22 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 (2 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-20040214836-A1 Method of treatment of myocardial infarction SRC, LCK, DSTYK MAP2K1 203/4885RAF1 309/4885LRRK2 2420/4885
US-20100113474-A1 Antineoplastic Combinations of 4-Anilino-3-Cyanoquinolines and Capecitabine HK2, HK1, HEXB MAP2K1 530/4885RAF1 1338/4885LRRK2 4865/4885

“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.