SCHEMBL14052893

SCHEMBL14052893

N#CCC(C1CCCC1)n1cc(-c2ccnc(NN(C(=O)O)c3ccccc3C3CCOC3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 8/20 0.42
▸ CDK2 P24941 4/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ JAK2 O60674 9/20 0.39
▸ JAK3 P52333 5/20 0.39
▸ TYK2 P29597 4/20 0.39
▸ ABL1 P00519 3/20 0.39
▸ DAPK3 O43293 2/20 0.39
▸ PAK4 O96013 2/20 0.39
▸ RET P07949 2/20 0.39
▸ LTK P29376 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ TNK2 Q07912 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ IKBKE Q14164 2/20 0.39
▸ NTRK3 Q16288 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ LRRK2 Q5S007 2/20 0.39

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
SCHEMBL14052892 0.82 CCNE1 (0.44) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL14052891 0.82 JAK2 (0.42) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL17451280 0.78 CCNE1 (0.49) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL17451310 0.76 JAK2 (0.43) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL2356289 0.75 JAK2 (0.58) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL3306077 0.74 CCNE1 (0.54) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL2358705 0.73 CCNE1 (0.49) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL4410398 0.73 CCNE1 (0.49) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL2357903 0.73 JAK2 (0.41) JAK1CDK2CCNE1JAK2JAK3
SCHEMBL17451307 0.73 CCNE1 (0.58) JAK1CDK2CCNE1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2012-11-29 — — 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-20120301464-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 JAK1 1/4885CDK2 268/4885CCNE1 3087/4885

“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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