SCHEMBL2921766

SCHEMBL2921766

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.43
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
ALPL P05186 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
KMT2A Q03164 3/20 0.41
F2 P00734 1/20 0.41
DHPS P49366 2/20 0.40
TP53 P04637 2/20 0.40
STK25 O00506 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL2924929 0.90 BTK (0.43) AURKARAB9ASMN1; SMN2NPC1ALPL
SCHEMBL2924969 0.90 BTK (0.42) AURKARAB9ASMN1; SMN2NPC1ALPL
SCHEMBL2923741 0.89 ALDH1A1 (0.40) AURKARAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2916089 0.89 MEN1 (0.46) AURKARAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2915234 0.89 NPC1 (0.46) AURKARAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2920154 0.88 ALDH1A1 (0.48) AURKARAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2914234 0.88 CCNA2 (0.46) RAB9ANPC1KMT2AF2MEN1
SCHEMBL2919885 0.87 STK25 (0.46) AURKARAB9ASMN1; SMN2NPC1CA1
SCHEMBL2921205 0.87 NPC1 (0.43) AURKARAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2916967 0.86 CDK2 (0.41) AURKARAB9ASMN1; SMN2NPC1KMT2A

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 347/4885RAB9A 1223/4885SMN1; SMN2 3514/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885RAB9A 1491/4885SMN1; SMN2 2568/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885RAB9A 1223/4885SMN1; SMN2 3514/4885

“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.