SCHEMBL3313895

SCHEMBL3313895

CC(=O)Nc1cc(N)ccc1C(=O)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HRH4 Q9H3N8 3/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
CHEK1 O14757 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2C P28335 1/20 0.43
NAMPT P43490 1/20 0.42
EPHX2 P34913 1/20 0.42
HSP90AA1 P07900 1/20 0.42
JAK2 O60674 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL2306539 0.80 HRH4 (0.55) ALDH1A1HRH4LMNATSHRTP53
SCHEMBL12012882 0.80 SMN1; SMN2 (0.55) MAPTALDH1A1HRH4LMNAL3MBTL1
SCHEMBL3426385 0.79 HRH4 (0.53) ALDH1A1HRH4LMNATSHRTP53
SCHEMBL31202952 0.79 HRH4 (0.53) ALDH1A1HRH4LMNATSHRTP53
SCHEMBL10126893 0.78 WDR5 (0.56) MAPTALDH1A1KDM4EGAAKMT2A
SCHEMBL3396511 0.77 CPS1 (0.56) HRH4LMNATSHRTP53ALOX15
SCHEMBL2522286 0.77 LMNA (0.60) MAPTHRH4LMNATSHRTP53
SCHEMBL30309461 0.77 CPS1 (0.56) HRH4LMNATSHRTP53ALOX15
SCHEMBL30309430 0.77 LMNA (0.60) MAPTHRH4LMNATSHRTP53
SCHEMBL31173086 0.76 HRH4 (0.53) ALDH1A1HRH4LMNATSHRTP53

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 18 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
CN-102245609-B Can be used as the Imidazopyridazine formonitrile HCN of kinase inhibitor BRISTOL-MYERS SQUIBB CO. (US) 2016-03-09 CN 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
CN-102245609-A Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2011-11-16 CN 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 PIK3C3 178/4885MAPT 4401/4885ALDH1A1 1421/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PIK3C3 178/4885MAPT 4401/4885ALDH1A1 1421/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PIK3C3 178/4885MAPT 4401/4885ALDH1A1 1421/4885

“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.