SCHEMBL3305310

SCHEMBL3305310

Nc1c(C2CCCNC2)ccc2nc(Nc3cccnc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.43
CCNA2 P20248 5/20 0.43
CDK2 P24941 5/20 0.43
CCNA1 P78396 5/20 0.43
GSK3B P49841 1/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ADORA2A P29274 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35

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
SCHEMBL3305316 0.84 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1GSK3B
SCHEMBL3303802 0.82 HTR2A (0.43) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL3304440 0.81 PTK2 (0.39) CHEK1CCNA2CDK2CCNA1JAK2
SCHEMBL2144921 0.77 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1ADORA2A
SCHEMBL3297635 0.77 IDH2 (0.47) CDK2JAK2PRKCZPRKD2
SCHEMBL3303916 0.77 IDH2 (0.47) CDK2JAK2PRKCZPRKD2
SCHEMBL2144859 0.70 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1
SCHEMBL3309511 0.66 IDH2 (0.50) CHEK1CDK2JAK2JAK3PRKCZ
SCHEMBL3304385 0.66 IDH2 (0.50) CHEK1CDK2JAK2JAK3PRKCZ
SCHEMBL3302493 0.66 IDH2 (0.50) CHEK1CDK2JAK2JAK3PRKCZ

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-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US claimed

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-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CHEK1 44/4885CCNA2 587/4885CDK2 37/4885

“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.