SCHEMBL1456808

SCHEMBL1456808

Brc1cccc(-c2ccc(-c3ccccn3)nn2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
KDM4E B2RXH2 8/20 0.67
NPC1 O15118 8/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
LMNA P02545 4/20 0.67
HTT P42858 4/20 0.67
TP53 P04637 3/20 0.67
ALOX15 P16050 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
PKM P14618 2/20 0.67
HSD17B10 Q99714 2/20 0.67
ALDH1A1 P00352 1/20 0.67
HPGD P15428 1/20 0.67
CCR1 P32246 3/20 0.61
CCR5 P51681 3/20 0.61
CCR8 P51685 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
ALPL P05186 2/20 0.61
HSP90AA1 P07900 1/20 0.61
ALPI P09923 1/20 0.61

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
SCHEMBL29946428 0.92 KDM4E (0.71) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL353379 0.92 KDM4E (0.71) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL30485904 0.92 KDM4E (0.71) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL994004 0.90 KDM4E (0.75) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL3753259 0.86 KDM4E (0.82) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL3755174 0.86 KDM4E (0.82) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL1456703 0.82 KDM4E (0.75) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL1456153 0.82 KDM4E (1.00) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL1456985 0.82 KDM4E (1.00) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL30211369 0.82 KDM4E (1.00) RAB9AKDM4ENPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295428-A2 Linear pyridazine and pyrrolic compounds, methods of preparation and applications Centre National de la Recherche Scientifique (CNRS) (FR) 2011-03-16 EP claimed
EP-2061785-A2 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-05-27 EP claimed
WO-2008012441-A2 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 WO claimed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
EP-2295428-A2 Linear pyridazine and pyrrolic compounds, methods of preparation and applications Centre National de la Recherche Scientifique (CNRS) (FR) 2011-03-16 EP disclosed
EP-2295428-A2 Linear pyridazine and pyrrolic compounds, methods of preparation and applications Centre National de la Recherche Scientifique (CNRS) (FR) 2011-03-16 EP disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US disclosed
US-20100004443-A1 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, METHOD FOR OBTAINING THEM AND APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) 2010-01-07 US disclosed
US-20100004443-A1 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, METHOD FOR OBTAINING THEM AND APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) 2010-01-07 US disclosed
US-20100004443-A1 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, METHOD FOR OBTAINING THEM AND APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) 2010-01-07 US disclosed
EP-2069345-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-06-17 EP disclosed
EP-2061785-A2 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-05-27 EP disclosed
WO-2008012441-A2 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 WO disclosed
WO-2008012441-A2 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 WO disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 WO disclosed
WO-2008012440-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 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 (2 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-20100004443-A1 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, METHOD FOR OBTAINING THEM AND APPLICATIONS PPOX, PNPO, PLPBP RAB9A 4736/4885KDM4E 2135/4885NPC1 4717/4885
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP RAB9A 4745/4885KDM4E 2333/4885NPC1 4663/4885

“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.