SCHEMBL13314736

SCHEMBL13314736

Cn1cc(-c2n[nH]cc2NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.42
STING1 Q86WV6 1/20 0.41
MAP4K1 Q92918 3/20 0.40
CDK2 P24941 6/20 0.39
CDK1 P06493 5/20 0.39
CCNA2 P20248 5/20 0.39
CCNB1 P14635 4/20 0.39
CCNA1 P78396 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BTK Q06187 2/20 0.39
MAPT P10636 1/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 1/20 0.39
LCK P06239 1/20 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
SCHEMBL13314737 0.86 MAP3K5 (0.38) IRAK4CDK2CDK1CCNA2CCNB1
SCHEMBL3580999 0.80 CDK2 (0.46) IRAK4CDK2CDK1CCNA2CCNB1
SCHEMBL3586281 0.78 LMNA (0.55) IRAK4CDK2CDK1CCNA2CCNB1
SCHEMBL3590269 0.75 BRPF1 (0.41) CDK2CDK1CCNA2CCNB1CCNA1
SCHEMBL13314751 0.73 LMNA (0.48) IRAK4CDK2CDK1CCNA2CCNB1
SCHEMBL3586136 0.72 MEN1 (0.43) IRAK4CDK2CDK1CCNA2CCNB1
SCHEMBL13314755 0.72 JAK2 (0.44) IRAK4CDK2CDK1CCNA2CCNB1
SCHEMBL5578113 0.72 MEN1 (0.43) CDK2CDK1CCNA2CCNB1CCNA1
SCHEMBL14511654 0.72 CDK2 (0.38) IRAK4CDK2CDK1CCNA2CCNB1
SCHEMBL5578206 0.72 MEN1 (0.39) IRAK4CDK2CDK1CCNA2CCNB1

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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 IRAK4 1848/4885STING1 4389/4885MAP4K1 141/4885

“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.