SCHEMBL2921189

SCHEMBL2921189

CC(=O)c1ccc(C(=O)Nc2[nH]nc3c2CN(S(=O)(=O)Cc2ccccc2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.41
NTRK1 P04629 1/20 0.39
AURKA O14965 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PARP1 P09874 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RORC P51449 1/20 0.38
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2914214 0.93 NTRK1 (0.42) KMT2ALMNAHPGDNTRK1AURKA
SCHEMBL2919755 0.92 KMT2A (0.41) KMT2AHPGDNTRK1AURKACCNA2
SCHEMBL2919851 0.91 CACNA1B (0.44) KMT2ALMNAPARP1MAPTALDH1A1
SCHEMBL2921460 0.91 SMN1; SMN2 (0.42) KMT2AHPGDNTRK1AURKAPARP1
SCHEMBL2917515 0.90 AURKA (0.49) KMT2ALMNAAURKAPARP1MAPT
SCHEMBL2921797 0.90 NTRK1 (0.42) KMT2ANTRK1CCNA2CDK2CCNA1
SCHEMBL2917089 0.90 RAB9A (0.46) KMT2ALMNANTRK1MAPT
SCHEMBL2922202 0.89 KMT2A (0.48) KMT2ALMNAHPGDNTRK1AURKA
SCHEMBL2915935 0.89 ALDH1A1 (0.41) KMT2AHPGDNTRK1PARP1MAPT
SCHEMBL2916667 0.88 LMNA (0.41) KMT2ALMNAHPGDALDH1A1HTT

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 KMT2A 2789/4885LMNA 2208/4885HPGD 1882/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 KMT2A 3607/4885LMNA 3028/4885HPGD 1382/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KMT2A 2789/4885LMNA 2208/4885HPGD 1882/4885

“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.