SCHEMBL2924929

SCHEMBL2924929

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CCN(S(C)(=O)=O)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.43
AURKA O14965 5/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
STK25 O00506 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
F2 P00734 2/20 0.39
KMT2A Q03164 2/20 0.39
PARP1 P09874 1/20 0.38
DHPS P49366 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
F12 P00748 1/20 0.38
MEN1 O00255 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
SCHEMBL2924969 0.92 BTK (0.42) BTKAURKATP53SMN1; SMN2TNKS
SCHEMBL2921766 0.90 AURKA (0.43) BTKAURKATP53SMN1; SMN2STK25
SCHEMBL2924780 0.88 STK25 (0.46) AURKATP53SMN1; SMN2STK25TRPV4
SCHEMBL2921976 0.83 TP53 (0.47) AURKATP53SMN1; SMN2TNKSTNKS2
SCHEMBL2919283 0.82 GAA (0.46) TP53SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2914894 0.82 NPC1 (0.46) AURKATP53SMN1; SMN2RAB9ANPC1
SCHEMBL2922374 0.81 STK25 (0.46) AURKATP53SMN1; SMN2STK25TRPV4
SCHEMBL2919885 0.80 STK25 (0.46) AURKATP53SMN1; SMN2STK25RAB9A
SCHEMBL2919297 0.80 CCNA2 (0.43) KMT2AMEN1ALDH1A1
SCHEMBL2923741 0.79 ALDH1A1 (0.40) AURKATP53SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BTK 375/4885AURKA 347/4885TP53 779/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 BTK 700/4885AURKA 600/4885TP53 577/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 BTK 375/4885AURKA 347/4885TP53 779/4885

“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.