SCHEMBL3309971

SCHEMBL3309971

Cc1ccc(Nc2cc(N)c3ncc(C#N)n3n2)cc1NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 3/20 0.42
▸ CSNK2A1 P68400 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ HIPK2 Q9H2X6 2/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ HIPK1 Q86Z02 1/20 0.41
▸ DYRK2 Q92630 1/20 0.41
▸ HIPK3 Q9H422 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ TYK2 P29597 7/20 0.38
▸ PDE4D Q08499 3/20 0.37
▸ MAPK14 Q16539 3/20 0.36
▸ KDR P35968 3/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ PDGFRB P09619 2/20 0.34

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
SCHEMBL12012939 0.92 EGFR (0.41) CSNK2A2CSNK2A1KCNH2HIPK2DYRK3
SCHEMBL3313776 0.84 CSNK2A2 (0.53) CSNK2A2CSNK2A1KCNH2HIPK2DYRK3
SCHEMBL2358275 0.84 TYK2 (0.35) CSNK2A2CSNK2A1KCNH2HIPK2DYRK3
SCHEMBL2309711 0.83 CSNK2A2 (0.40) CSNK2A2CSNK2A1KCNH2HIPK2DYRK3
SCHEMBL12013383 0.83 CSNK2A1 (0.39) CSNK2A2CSNK2A1KCNH2HIPK2DYRK3
SCHEMBL11996471 0.82 MAPK14 (0.40) CSNK2A2CSNK2A1KCNH2HIPK2DYRK3
SCHEMBL13641723 0.80 PIK3CA (0.37) CSNK2A2CSNK2A1TYK2
SCHEMBL13421572 0.80 KCNH2 (0.44) CSNK2A2CSNK2A1KCNH2HIPK2DYRK3
SCHEMBL3313444 0.79 KCNH2 (0.48) CSNK2A2CSNK2A1KCNH2HIPK2DYRK3
SCHEMBL15084633 0.79 RPS27 (0.44) CSNK2A2CSNK2A1TYK2PDE4DSMN1; SMN2

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-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 — — US disclosed
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-26 — — US disclosed
EP-2350081-B1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — US disclosed
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — 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 (4 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-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885CSNK2A1 88/4885KCNH2 1283/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885CSNK2A1 88/4885KCNH2 1283/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CSNK2A2 161/4885CSNK2A1 132/4885KCNH2 3526/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885CSNK2A1 88/4885KCNH2 1283/4885

“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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