SCHEMBL13249649

SCHEMBL13249649

CC(C)[C@@H](CF)Nc1nc2ccc(-c3cnn(C)c3)cc2c2c(=O)[nH]ccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
JAK2 O60674 10/20 0.47
ACVR1 Q04771 1/20 0.45
GPR39 O43194 1/20 0.40
KCNH2 Q12809 2/20 0.39
LRRK2 Q5S007 1/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
PIK3CA P42336 3/20 0.39
JAK3 P52333 1/20 0.37
ZAP70 P43403 1/20 0.37

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
SCHEMBL3500158 0.88 JAK2 (0.62) CHEK1JAK2ACVR1GPR39KCNH2
SCHEMBL3501401 0.84 JAK2 (0.49) CHEK1JAK2ACVR1GPR39KCNH2
SCHEMBL3502426 0.81 JAK2 (0.61) CHEK1JAK2ACVR1PRMT5WDR77
SCHEMBL2874886 0.76 JAK2 (0.66) CHEK1JAK2ACVR1LRRK2PIK3CA
SCHEMBL3503329 0.76 JAK2 (0.66) CHEK1JAK2ACVR1LRRK2PIK3CA
SCHEMBL3502471 0.76 JAK2 (0.66) CHEK1JAK2ACVR1LRRK2PIK3CA
SCHEMBL2461060 0.76 JAK2 (0.65) CHEK1JAK2ACVR1KCNH2PRMT5
SCHEMBL2876498 0.73 JAK2 (0.65) CHEK1JAK2ACVR1KCNH2
SCHEMBL3501381 0.73 JAK2 (0.66) CHEK1JAK2ACVR1
SCHEMBL2458102 0.71 CHEK1 (0.55) CHEK1JAK2ACVR1KCNH2PRMT5

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-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 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 (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-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 CHEK1 740/4885JAK2 1/4885ACVR1 2346/4885

“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.