SCHEMBL2921680

SCHEMBL2921680

O=C(/C=C/c1ccccc1)Nc1n[nH]c2c1CN(S(=O)(=O)Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
CCNA1 P78396 4/20 0.47
AURKA O14965 4/20 0.45
GPR183 P32249 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
MDM2 Q00987 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
EGFR P00533 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL2915427 1.00 HDAC1 (0.52) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2913888 0.94 HDAC1 (0.49) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2915271 0.92 NAMPT (0.46) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2919903 0.90 HDAC1 (0.45) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2914886 0.88 SMN1; SMN2 (0.45) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2921772 0.87 CCNA2 (0.46) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2923041 0.87 CCNA2 (0.46) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2924284 0.86 MAPT (0.46) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2920224 0.86 MAPT (0.46) HDAC1CCNA2CDK2CCNA1AURKA
SCHEMBL2920857 0.83 CCNA2 (0.54) CCNA2CDK2CCNA1AURKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 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 (3 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 HDAC1 604/4885CCNA2 848/4885CDK2 43/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 HDAC1 373/4885CCNA2 1043/4885CDK2 70/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 HDAC1 604/4885CCNA2 848/4885CDK2 43/4885

“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.