SCHEMBL12824847

SCHEMBL12824847

COc1ccc(-c2cccnc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
CYP19A1 P11511 4/20 0.52
CYP2A6 P11509 6/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL1752864 0.79 LMNA (0.58) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL13750550 0.78 CYP2A6 (0.58) NPC1CYP19A1CYP2A6CYP3A4ALDH1A1
SCHEMBL24155607 0.78 CYP11B1 (0.46) NPC1CYP19A1ALDH1A1RAB9ALMNA
SCHEMBL30338816 0.77 BRAF (0.52) NPC1CYP19A1CYP2A6CYP3A4ALDH1A1
SCHEMBL30684561 0.77 CYP2A6 (0.62) NPC1CYP19A1CYP2A6CYP3A4ALDH1A1
SCHEMBL1750160 0.77 LMNA (0.45) NPC1CYP19A1RAB9ASMN1; SMN2MAPT
SCHEMBL17544543 0.77 KDM4E (0.56) NPC1CYP3A4ALDH1A1CYP1A2RAB9A
SCHEMBL6133665 0.77 ADORA1 (0.45) NPC1CYP19A1RAB9AKMT2APDE2A
SCHEMBL1422588 0.76 CYP19A1 (0.65) NPC1CYP19A1CYP2A6CYP3A4ALDH1A1
SCHEMBL3253036 0.76 LMNA (0.59) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT

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 9 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
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-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 NPC1 4717/4885CYP19A1 1145/4885CYP2A6 1545/4885
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP NPC1 4663/4885CYP19A1 1498/4885CYP2A6 1645/4885

“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.