SCHEMBL6791823

SCHEMBL6791823

NC(=O)c1n[nH]c2c1CCc1c-2cnn1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.43
CCNA2 P20248 6/20 0.40
CDK2 P24941 6/20 0.40
CCNA1 P78396 6/20 0.40
AADAT Q8N5Z0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HDAC9 Q9UKV0 1/20 0.36
CDC25B P30305 1/20 0.35
AURKA O14965 4/20 0.35
ITK Q08881 3/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
LCK P06239 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
SCHEMBL9221036 0.81 TSHR (0.41) IKBKBAADATHDAC9
SCHEMBL28587591 0.80 HDAC3 (0.41) HDAC9AURKAITKLCK
SCHEMBL6795570 0.77 CCNA2 (0.59) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL28573732 0.77 ITK (0.36) CDC25BAURKAITKLCK
SCHEMBL6632616 0.74 XDH (0.43) IKBKBCCNA2CDK2CCNA1
SCHEMBL9219795 0.73 PLK4 (0.41) AADATALDH1A1AURKAHPGDLMNA
SCHEMBL28587710 0.72 HDAC6 (0.36) IKBKBHDAC9AURKAITK
SCHEMBL6661004 0.72 CCNA2 (0.59) IKBKBCCNA2CDK2CCNA1AURKA
SCHEMBL28570874 0.71 IKBKB (0.44) IKBKBHDAC9
SCHEMBL1160454 0.71 NPC1 (0.49) CCNA2CDK2CCNA1ALDH1A1HPGD

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 IKBKB 634/4885CCNA2 270/4885CDK2 29/4885

“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.