SCHEMBL13641723

SCHEMBL13641723

Cc1ccc(C#N)cc1Nc1cc(N)c2ncc(C#N)n2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ EGLN2 Q96KS0 2/20 0.36
▸ CSNK2A2 P19784 11/20 0.35
▸ CSNK2A1 P68400 11/20 0.35
▸ FASN P49327 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL3313747 0.88 FLT3 (0.39) EGLN2CSNK2A2CSNK2A1MEN1KMT2A
SCHEMBL2356690 0.87 KDM4E (0.37) PIK3CAMTORPRKDCEGLN2MEN1
SCHEMBL3314986 0.85 TYK2 (0.37) CSNK2A2CSNK2A1TYK2
SCHEMBL2359655 0.82 TYK2 (0.46) PIK3CAMTORPRKDCCSNK2A2CSNK2A1
SCHEMBL13641674 0.81 CSNK2A2 (0.39) PIK3CAMTORPRKDCEGLN2CSNK2A2
SCHEMBL2309711 0.81 CSNK2A2 (0.40) PRKDCCSNK2A2CSNK2A1KMT2AL3MBTL1
SCHEMBL3309971 0.80 CSNK2A2 (0.42) CSNK2A2CSNK2A1TYK2
SCHEMBL17849715 0.80 TYK2 (0.46) PIK3CAMTORPRKDCCSNK2A2CSNK2A1
SCHEMBL3318796 0.79 LRRK2 (0.37) CSNK2A2CSNK2A1KMT2AL3MBTL1TYK2
SCHEMBL12012939 0.78 EGFR (0.41) EGLN2CSNK2A2CSNK2A1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — 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-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PIK3CA 106/4885MTOR 183/4885PRKDC 29/4885

“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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