SCHEMBL2924015

SCHEMBL2924015

COc1ccccc1C(=O)Nc1n[nH]c2c1CN(CCc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CDK2 P24941 6/20 0.46
AURKA O14965 5/20 0.46
CCNA2 P20248 5/20 0.46
CCNA1 P78396 5/20 0.46
NPC1 O15118 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
CDC7 O00311 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
GSK3B P49841 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL2915145 0.90 TAAR1 (0.47) POLBGAAMAPK1CDK2AURKA
SCHEMBL2917481 0.90 MAPT (0.55) POLBMAPTTSHRMAPK1CDK2
SCHEMBL2918015 0.90 CDK2 (0.46) POLBGAAMAPK1CDK2AURKA
SCHEMBL2917702 0.87 AURKA (0.51) CDK2AURKACCNA2CCNA1
SCHEMBL2917144 0.87 AURKA (0.48) CDK2AURKACCNA2CCNA1HPGD
SCHEMBL2922446 0.86 CCNA2 (0.48) MAPTTSHRCDK2AURKACCNA2
SCHEMBL2917893 0.86 ABCG2 (0.50) MAPK1CDK2AURKACCNA2CCNA1
SCHEMBL2922858 0.85 CCNA2 (0.47) POLBGAATSHRCDK2AURKA
SCHEMBL2914992 0.85 CCNA2 (0.47) POLBCDK2AURKACCNA2CCNA1
SCHEMBL2922501 0.85 AURKA (0.63) MAPTCDK2AURKACCNA2CCNA1

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 POLB 1334/4885GAA 1951/4885MAPT 1172/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 POLB 2264/4885GAA 1829/4885MAPT 1104/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 POLB 1334/4885GAA 1951/4885MAPT 1172/4885

“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.