SCHEMBL12824474

SCHEMBL12824474

COc1ccc(-c2ccc(C#N)cc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
F2RL3 Q96RI0 1/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOB P27338 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GSK3B P49841 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL14872146 0.86 KDM4E (0.56) GAAMAPTMEN1KMT2AMAOB
SCHEMBL6852267 0.79 LMNA (0.43) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL6676853 0.78 GAA (0.50) GAAMAOBKDM4EALDH1A1GABRA1
SCHEMBL13140612 0.77 MAPT (0.49) LMNAMAPTMEN1KMT2AMAOB
SCHEMBL25591566 0.77 MAPT (0.62) LMNAMAPTMEN1KMT2AMAOB
SCHEMBL29703893 0.77 MAPT (0.62) LMNAMAPTMEN1KMT2AMAOB
SCHEMBL6852324 0.76 LMNA (0.43) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL9140591 0.76 LMNA (0.48) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL3253036 0.76 LMNA (0.59) LMNAMAPTMEN1KMT2ANPC1
SCHEMBL25591564 0.76 NPC1 (0.49) LMNAF2RL3MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 LMNA 3500/4885GAA 3181/4885F2RL3 2043/4885
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP LMNA 4332/4885GAA 3044/4885F2RL3 1647/4885

“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.