SCHEMBL2917515

SCHEMBL2917515

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.49
TRPV1 Q8NER1 1/20 0.42
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 1/20 0.39
KCNK9 Q9NPC2 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
SCHEMBL2917671 0.93 AURKA (0.47) AURKATRPV1RAB9ALMNAPARP1
SCHEMBL2914214 0.91 NTRK1 (0.42) AURKARAB9ALMNANPC1KMT2A
SCHEMBL2921189 0.90 KMT2A (0.43) AURKALMNAPARP1KMT2AALDH1A1
SCHEMBL2919755 0.90 KMT2A (0.41) AURKARAB9ANPC1KMT2AALDH1A1
SCHEMBL2921460 0.89 SMN1; SMN2 (0.42) AURKARAB9APARP1NPC1KMT2A
SCHEMBL2921797 0.88 NTRK1 (0.42) RAB9ANPC1ABL1KMT2AALDH1A1
SCHEMBL2917089 0.88 RAB9A (0.46) RAB9ALMNANPC1KMT2AMAPT
SCHEMBL2922202 0.88 KMT2A (0.48) AURKARAB9ALMNANPC1KMT2A
SCHEMBL2919851 0.88 CACNA1B (0.44) LMNAPARP1NPC1KMT2AALDH1A1
SCHEMBL2915935 0.87 ALDH1A1 (0.41) RAB9APARP1KMT2AALDH1A1MAPT

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 347/4885TRPV1 3997/4885RAB9A 1223/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885TRPV1 3872/4885RAB9A 1491/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885TRPV1 3997/4885RAB9A 1223/4885

“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.