SCHEMBL629471

SCHEMBL629471

Nc1cnc2ccc(-c3ccccc3)cc2n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.59
▸ PIK3CA P42336 2/20 0.47
▸ DHFR P00374 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ TLR9 Q9NR96 2/20 0.46
▸ MET P08581 1/20 0.46
▸ FGFR1 P11362 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ PIK3R1 P27986 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ ASIC3 Q9UHC3 1/20 0.42
▸ PDPK1 O15530 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
SCHEMBL28156588 0.79 ALDH1A1 (0.47) BACE1PIK3CADHFRMAP4K4PI4KA
Benzene SCHEMBL28261497 0.78 ALDH1A1 (0.50) BACE1TLR9KMT2ANPC1RAB9A
SCHEMBL30473007 0.78 CYP11B2 (0.41) BACE1PIK3CAMAP4K4PI4KAPI4KB
SCHEMBL5159013 0.76 PIK3CA (0.59) BACE1PIK3CADHFRMAP4K4PI4KA
SCHEMBL462847 0.76 ALDH1A1 (0.52) BACE1KMT2ANPC1RAB9APDPK1
SCHEMBL29447182 0.76 ALDH1A1 (0.52) BACE1KMT2ANPC1RAB9APDPK1
SCHEMBL27999697 0.76 ALDH1A1 (0.52) BACE1KMT2ANPC1RAB9APDPK1
SCHEMBL630327 0.76 ADORA2A (0.44) BACE1PIK3CAADORA2A
SCHEMBL629111 0.76 FYN (0.44) BACE1PIK3CAPI4KAPI4KBNPC1
SCHEMBL629540 0.76 PDGFRB (0.57) PIK3CAKMT2AADORA1

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 11 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

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 BACE1 4683/4885PIK3CA 1981/4885DHFR 210/4885

“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.

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