SCHEMBL15501756

SCHEMBL15501756

CC(C)(C#N)c1ncccc1Br

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.33
ROCK2 O75116 3/20 0.33
PRKCQ Q04759 3/20 0.33
PRKCD Q05655 3/20 0.33
ROCK1 Q13464 3/20 0.33
JAK3 P52333 2/20 0.33
PRKCA P17252 2/20 0.33
PRKACA P17612 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
PLCG1 P19174 1/20 0.33
KCNMA1 Q12791 2/20 0.32
KEAP1 Q14145 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL1332467 0.79 AXL (0.33) KDM4EALDH1A1SMN1; SMN2AXL
SCHEMBL14333347 0.78 AXL (0.35) KDM4EALDH1A1SMN1; SMN2AXL
SCHEMBL12203098 0.78 AXL (0.35) KDM4EALDH1A1HPGDSMN1; SMN2AXL
SCHEMBL1628608 0.78 JAK2 (0.36) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL12987949 0.78 JAK2 (0.33) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL29700932 0.78 JAK2 (0.33) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL3866262 0.78 JAK2 (0.33) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL12752329 0.76 KCNMA1 (0.34) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL1627051 0.75 PLCG1 (0.34) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL27978088 0.75 SSTR4 (0.41) PLCG1KEAP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2711361-B1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO (JP) 2016-06-29 EP disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
EP-2711361-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE Nippon Soda Co., Ltd. (JP) 2014-03-26 EP disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 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-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 JAK2 2552/4885ROCK2 3977/4885PRKCQ 4517/4885

“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.