SCHEMBL12330010

SCHEMBL12330010

O=C1c2nc(NC3CCCCC3)ncc2CCC1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 16/20 0.47
CDK2 P24941 16/20 0.47
CCNA1 P78396 16/20 0.47
AURKA O14965 4/20 0.46
PAK1 Q13153 1/20 0.45
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL11297942 0.81 LMNA (0.35) CCNA2CDK2CCNA1AURKA
SCHEMBL11304047 0.80 CCNA2 (0.50) CCNA2CDK2CCNA1AURKAPAK1
SCHEMBL13439763 0.78 HDAC3 (0.41) CCNA2CDK2CCNA1AURKACDK4
SCHEMBL1909349 0.73 ELANE (0.35)
SCHEMBL428589 0.73 ELANE (0.33)
SCHEMBL12330009 0.72 CCNA2 (0.48) CCNA2CDK2CCNA1AURKAPAK1
SCHEMBL11306472 0.70 CDK2 (0.49) CCNA2CDK2CCNA1AURKAPAK1
SCHEMBL19359632 0.70 MAPK1 (0.43) CCNA2CDK2CCNA1AURKAPAK1
SCHEMBL11299560 0.69 CDK2 (0.44) CCNA2CDK2CCNA1AURKAPAK1
SCHEMBL13592001 0.67 CDK2 (0.46) CCNA2CDK2CCNA1AURKA

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-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 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-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 CCNA2 725/4885CDK2 65/4885CCNA1 820/4885

“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.