SCHEMBL14890486

SCHEMBL14890486

COC(=O)c1cccc(-c2ccc(N)nn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.48
CDK8 P49336 1/20 0.47
ERN1 O75460 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
GRM5 P41594 1/20 0.46
SDHB P21912 1/20 0.45
PLAU P00749 2/20 0.44

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
SCHEMBL13600575 0.86 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL5563045 0.84 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL5563766 0.84 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL14890586 0.83 CA1 (0.47) CA12CA1CA2CA9LOXL2
SCHEMBL18673792 0.81 KDM1A (0.51) CDK8ERN1
SCHEMBL6714723 0.81 CA12 (0.52) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL14934990 0.80 GABRG2 (0.55) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL14890414 0.79 GABRG2 (0.54) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL67941 0.79 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL11997727 0.78 CDK8 (0.59) GABRG2GABRB3GABRA5GABRA3CA12

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-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
EP-2773645-A1 IMIDAZOPYRIDAZINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
CN-104024261-A Imidazopyridazine compounds HOFFMANN LA ROCHE 2014-09-03 CN disclosed
WO-2013064445-A1 IMIDAZOPYRIDAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
WO-2013064445-A1 IMIDAZOPYRIDAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 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 (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-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS SYK, BTK, IRAK4 GABRG2 1609/4885GABRB3 2560/4885GABRA5 1019/4885

“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.