SCHEMBL629394

SCHEMBL629394

CCCCN(S)C(=O)Nc1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.44
MAPK8 P45983 3/20 0.44
MAPK9 P45984 3/20 0.44
MAPK10 P53779 3/20 0.44
MAPK1 P28482 3/20 0.44
ATM Q13315 4/20 0.41
MELK Q14680 12/20 0.40
YES1 P07947 1/20 0.38
HIPK1 Q86Z02 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL3047578 0.89 ATM (0.40) PIK3CAMAPK1ATMYES1HIPK1
SCHEMBL629159 0.85 MELK (0.45) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL629718 0.83 MELK (0.46) PIK3CAATMMELK
SCHEMBL630257 0.82 MELK (0.42) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL629970 0.82 MELK (0.46) PIK3CAATMMELK
SCHEMBL629071 0.81 MAPK1 (0.56) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL629770 0.80 MELK (0.37) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL630424 0.80 MAPK1 (0.55) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL3049020 0.79 MAPK1 (0.41) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL629332 0.79 MAPK1 (0.54) PIK3CAMAPK8MAPK9MAPK10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US claimed
EP-2419411-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS Æterna Zentaris GmbH (DE) 2012-02-22 EP claimed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US claimed
WO-2010115719-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS ÆTERNA ZENTARIS GMBH (DE) 2010-10-14 WO claimed
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
EP-2419411-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS Æterna Zentaris GmbH (DE) 2012-02-22 EP disclosed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US disclosed
WO-2010115719-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS ÆTERNA ZENTARIS GMBH (DE) 2010-10-14 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 (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-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS NQO2, G6PD, GLS2 PIK3CA 1981/4885MAPK8 2529/4885MAPK9 2814/4885

“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.