SCHEMBL15760939

SCHEMBL15760939

CCc1cc2cc[nH]c(=O)c2c(NC)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.40
CHEK1 O14757 7/20 0.39
JAK2 O60674 8/20 0.36
KCNH2 Q12809 1/20 0.36
RPS6KA3 P51812 1/20 0.34
MELK Q14680 1/20 0.34
STK24 Q9Y6E0 1/20 0.34

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
SCHEMBL13753079 0.80 JAK2 (0.39) ZAP70CHEK1JAK2KCNH2RPS6KA3
SCHEMBL15760946 0.79 CHEK1 (0.43) ZAP70CHEK1JAK2RPS6KA3MELK
SCHEMBL15760925 0.75 JAK2 (0.38) JAK2KCNH2
SCHEMBL15760947 0.75 PARP1 (0.38) ZAP70CHEK1JAK2KCNH2RPS6KA3
SCHEMBL15803489 0.73 JAK2 (0.41) JAK2KCNH2
SCHEMBL4747249 0.71 JAK2 (0.43) ZAP70CHEK1JAK2
SCHEMBL12794742 0.70 ZAP70 (0.48) ZAP70JAK2
SCHEMBL12794764 0.67 ZAP70 (0.59) ZAP70CHEK1JAK2
SCHEMBL15760932 0.66
SCHEMBL18238676 0.65 PARP1 (0.44) CHEK1JAK2RPS6KA3MELKSTK24

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-20140171429-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-19 US disclosed
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 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 (2 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-20140171429-A1 BICYCLIC INHIBITORS OF ALK ALK, ACVR1, ACVR1B ZAP70 710/4885CHEK1 330/4885JAK2 104/4885
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 ZAP70 403/4885CHEK1 368/4885JAK2 95/4885

“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.