SCHEMBL2311962

SCHEMBL2311962

N#Cc1cc(N)cc(S(=O)(=O)NC2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.40
▸ THRB P10828 1/20 0.38
▸ P4HB P07237 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSS P25774 2/20 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
SCHEMBL13421258 0.86 BRD4 (0.46) BRD4KDM4ERECQLSMN1; SMN2PIK3CD
SCHEMBL15231755 0.79 THRB (0.56) THRBP4HBKDM4ERECQLSMN1; SMN2
SCHEMBL24477877 0.74 SMN1; SMN2 (0.58) KDM4ERECQLSMN1; SMN2KMT2ATDP1
SCHEMBL2308454 0.72 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3315511 0.69 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL29764484 0.68 SMN1; SMN2 (0.58) KDM4ERECQLSMN1; SMN2DPP4DPP7
SCHEMBL6101801 0.68 CNR2 (0.48) BRD4THRBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL18275114 0.67 THRB (0.63) THRBP4HBKDM4ERECQLSMN1; SMN2
SCHEMBL18343804 0.67 KDM4E (0.56) KDM4ERECQLSMN1; SMN2ALDH1A1CTSB
SCHEMBL26576184 0.67 PTGS2 (0.39) L3MBTL1

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 17 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-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — 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
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-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US 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-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
EP-2350081-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-08-03 — — EP disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — 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 (3 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 BRD4 620/4885THRB 2882/4885P4HB 1296/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 BRD4 620/4885THRB 2882/4885P4HB 1296/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 BRD4 620/4885THRB 2882/4885P4HB 1296/4885

“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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