SCHEMBL3751172

SCHEMBL3751172

c1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccccn5)[nH]4)n3)[nH]2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
LMNA P02545 6/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
ALOX15 P16050 4/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
CCR1 P32246 3/20 0.61
CCR5 P51681 3/20 0.61
CCR8 P51685 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
TP53 P04637 3/20 0.61
HTT P42858 2/20 0.61
ALPL P05186 2/20 0.61
HSP90AA1 P07900 1/20 0.61
ALPI P09923 1/20 0.61
ALPG P10696 1/20 0.61
MAPK1 P28482 1/20 0.61
METAP1 P53582 4/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL3745096 0.98 KDM4E (0.65) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL1456454 0.91 KDM4E (0.62) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL29624537 0.91 KDM4E (0.62) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL1456955 0.89 KDM4E (0.59) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL4037764 0.87 CCR1 (0.50) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL3749701 0.85 KDM4E (0.45) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL7691760 0.82 TGFBR1 (0.50) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL1456076 0.80 KDM4E (0.69) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL14668890 0.78 KDM4E (0.50) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1
SCHEMBL7964803 0.77 KDM4E (1.00) KDM4ELMNASMN1; SMN2ALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 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-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
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-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 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 (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-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP KDM4E 2333/4885LMNA 4332/4885SMN1; SMN2 4166/4885

“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.