SCHEMBL630369

SCHEMBL630369

Cc1cc(-c2ccc3ncc(NC(=O)N(S)C4CCCCC4)nc3c2)cc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
ABL1 P00519 6/20 0.37
JAK1 P23458 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 4/20 0.35
YES1 P07947 3/20 0.35
AURKB Q96GD4 3/20 0.35
NTRK1 P04629 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MELK Q14680 1/20 0.35
HIPK1 Q86Z02 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HPGD P15428 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL630168 0.99 ABL1 (0.38) ATMABL1JAK1POLBMAPK1
SCHEMBL630391 0.98 ABL1 (0.38) ATMABL1JAK1MAPK1YES1
SCHEMBL629202 0.95 JAK1 (0.39) ATMABL1JAK1MAPK1YES1
SCHEMBL3040773 0.88 MELK (0.42) JAK1MELK
SCHEMBL629422 0.88 MELK (0.42) JAK1MELK
SCHEMBL629426 0.88 MELK (0.42) JAK1MELK
SCHEMBL629715 0.86 MELK (0.43) JAK1MELK
SCHEMBL629369 0.83 MELK (0.46) JAK1MELK
SCHEMBL3049020 0.81 MAPK1 (0.41) ATMABL1MAPK1YES1AURKB
SCHEMBL629077 0.81 JAK2 (0.54) ATMJAK1MAPK1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241557-A1 Chinoxalin derivatives and use thereof for treating malignant and benign tumour illnesses Æterna Zentaris GmbH (DE) 2010-10-20 EP 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
EP-2241557-A1 Chinoxalin derivatives and use thereof for treating malignant and benign tumour illnesses Æterna Zentaris GmbH (DE) 2010-10-20 EP 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 ATM 2494/4885ABL1 531/4885JAK1 2108/4885

“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.