SCHEMBL2917671

SCHEMBL2917671

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(S(=O)(=O)Cc2ccccc2)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.47
CNR2 P34972 2/20 0.42
PARP1 P09874 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2917515 0.93 AURKA (0.49) AURKAPARP1TRPV1ABL1BCR
SCHEMBL2921821 0.92 KMT2A (0.41) CNR2KMT2AMEN1RAB9ALMNA
SCHEMBL2919112 0.89 GPR183 (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL2920153 0.88 LMNA (0.40) CNR2KMT2ALMNAALDH1A1MAPT
SCHEMBL2922374 0.86 STK25 (0.46) AURKACNR2KMT2AMEN1LMNA
SCHEMBL2920093 0.85 KMT2A (0.47) CNR2KMT2ARAB9ALMNANPC1
SCHEMBL2924969 0.85 BTK (0.42) AURKAKMT2AMEN1RAB9ALMNA
SCHEMBL2914214 0.84 NTRK1 (0.42) AURKAKMT2ARAB9ALMNANPC1
SCHEMBL2924026 0.83 NTRK1 (0.42) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL2918559 0.83 MAPK1 (0.51) AURKAKMT2AMEN1RAB9ALMNA

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 AURKA 347/4885CNR2 3207/4885PARP1 891/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885CNR2 2295/4885PARP1 949/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885CNR2 3207/4885PARP1 891/4885

“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.