SCHEMBL629785

SCHEMBL629785

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.54
MAPK1 P28482 11/20 0.54
AURKB Q96GD4 2/20 0.45
YES1 P07947 1/20 0.45
HIPK1 Q86Z02 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ABL1 P00519 1/20 0.44
PIM1 P11309 1/20 0.44
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK8 P45983 8/20 0.39
MAPK9 P45984 8/20 0.39
MAPK10 P53779 8/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL629346 0.89 ALDH1A1 (0.47) PIK3CAMAPK1AURKBYES1HIPK1
SCHEMBL630346 0.87 PIK3CA (0.53) PIK3CAMAPK1AURKBYES1HIPK1
SCHEMBL629037 0.86 MAPK1 (0.61) PIK3CAMAPK1AURKBYES1HIPK1
SCHEMBL4350127 0.84 PIK3CA (0.63) PIK3CAMAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL629354 0.84 KDM4E (0.46) PIK3CAMAPK1AURKBYES1HIPK1
SCHEMBL629102 0.84 MAPK1 (0.46) PIK3CAMAPK1AURKBYES1HIPK1
SCHEMBL629201 0.82 SMN1; SMN2 (0.48) PIK3CAMAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4346224 0.81 PIK3CA (0.74) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL630167 0.80 RAB9A (0.49) MAPK1ALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL629689 0.80 RAB9A (0.47) MAPK1ALDH1A1KMT2ASMN1; SMN2KDM4E

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 18 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
CN-102378758-A Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH 2012-03-14 CN 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
EP-2241557-A1 Chinoxalin derivatives and use thereof for treating malignant and benign tumour illnesses Æterna Zentaris GmbH (DE) 2010-10-20 EP 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
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
CN-102378758-A Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH 2012-03-14 CN 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
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US 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
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
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 1981/4885MAPK1 2140/4885AURKB 2506/4885

“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.