SCHEMBL629582

SCHEMBL629582

Nc1cnc2ccc(Cl)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.48
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
BACE1 P56817 3/20 0.44
NR4A2 P43354 4/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
SOS2 Q07890 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
F7 P08709 1/20 0.41

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
SCHEMBL4725394 0.92 PIK3CG (0.53) PIK3CGBACE1NR4A2LMNACYP1A2
SCHEMBL10692301 0.84 BACE1 (0.49) PIK3CGFGFR3KDRBACE1HTR3E
SCHEMBL30775025 0.79 ALDH1A1 (0.55) PIK3CGFGFR3KDRNR4A2LMNA
SCHEMBL629503 0.79 ALDH1A1 (0.55) PIK3CGFGFR3KDRNR4A2LMNA
SCHEMBL14791619 0.79 PLAU (0.52) PIK3CGKDRLMNAMAPTHTR3A
SCHEMBL30889393 0.78 FGFR3 (0.46) PIK3CGFGFR3KDRNR4A2LMNA
SCHEMBL15221559 0.77 FGFR3 (0.48) PIK3CGFGFR3KDRNR4A2LMNA
SCHEMBL31649443 0.77 FGFR3 (0.44) PIK3CGFGFR3KDRNR4A2LMNA
SCHEMBL11372767 0.77 ALDH1A1 (0.42) BACE1PDGFRBPDGFRADYRK1AALDH1A1
SCHEMBL23651806 0.76 FGFR3 (0.46) PIK3CGFGFR3KDRNR4A2LMNA

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 16 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 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
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
US-RE30563-E Preparation of benzoylureas ELI LILLY AND COMPANY (US) 1981-03-31 US disclosed
US-4254123-A FOR TREATMENT OF ASTHMA; ANTIALLERGENS ROUSSEL UCLAF (FR) 1981-03-03 US disclosed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4133956-A Preparation of benzoylureas ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 US 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 PIK3CG 3201/4885FGFR3 3259/4885KDR 4013/4885

“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.