SCHEMBL1456964

SCHEMBL1456964

COC(=O)c1cc(-c2ccccn2)nnc1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.46
▸ GRM5 P41594 2/20 0.45
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12824825 0.85 LMNA (0.49) KDM4EHSD17B10TP53LMNANPC1
SCHEMBL645854 0.79 TDP1 (0.54) AXLKDM4EGRM5GABRG2GABRB3
SCHEMBL29664560 0.79 TDP1 (0.54) AXLKDM4EGRM5GABRG2GABRB3
SCHEMBL28405722 0.78 PTGS1 (0.51) AXLKDM4EGRM5GABRG2GABRB3
SCHEMBL30171520 0.78 PTGS1 (0.51) AXLKDM4EGRM5GABRG2GABRB3
SCHEMBL28399944 0.76 AXL (0.46) AXLKDM4EGRM5GABRG2GABRB3
SCHEMBL30171522 0.76 AXL (0.46) AXLKDM4EGRM5GABRG2GABRB3
SCHEMBL812066 0.75 AXL (0.47) AXLKDM4EGRM5GABRG2GABRB3
SCHEMBL2162112 0.75 KDM4E (0.56) AXLKDM4EHSD17B10TP53LMNA
SCHEMBL28199188 0.74 GRM5 (0.50) AXLKDM4EGRM5GABRG2GABRB3

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 4 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

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 AXL 916/4885KDM4E 2135/4885GRM5 302/4885
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP AXL 691/4885KDM4E 2333/4885GRM5 613/4885

“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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