SCHEMBL4285746

SCHEMBL4285746

NC(=O)c1ccccc1C(=O)Nc1n[nH]c2c1CN(S(=O)(=O)c1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.47
CCNA2 P20248 10/20 0.47
CDK2 P24941 10/20 0.47
CCNA1 P78396 10/20 0.47
TDP1 Q9NUW8 1/20 0.41
IGF1R P08069 2/20 0.41
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
AURKB Q96GD4 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL4285751 0.91 AURKA (0.47) AURKACCNA2CDK2CCNA1TDP1
SCHEMBL1373684 0.84 IGF1R (0.40) AURKACCNA2CDK2CCNA1TDP1
SCHEMBL2678720 0.82 MET (0.50) AURKACCNA2CDK2CCNA1TDP1
SCHEMBL1373681 0.82 IGF1R (0.55) AURKACCNA2CDK2CCNA1IGF1R
SCHEMBL2678341 0.82 IGF1R (0.63) AURKACCNA2CDK2CCNA1IGF1R
SCHEMBL2924317 0.80 AURKA (0.52) AURKACCNA2CDK2CCNA1IGF1R
SCHEMBL2919887 0.80 AURKA (0.63) AURKACCNA2CDK2CCNA1IGF1R
SCHEMBL2925541 0.79 CCNA2 (0.48) AURKACCNA2CDK2CCNA1IGF1R
SCHEMBL2915889 0.79 CCNA2 (0.52) AURKACCNA2CDK2CCNA1IGF1R
SCHEMBL4287742 0.79 HTR6 (0.39) PARP1PARP2ALDH1A1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO 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-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 AURKA 383/4885CCNA2 1504/4885CDK2 150/4885

“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.