SCHEMBL2917893

SCHEMBL2917893

COc1ccc(C(=O)Nc2n[nH]c3c2CN(CCc2ccccc2)C3)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.50
ABCB1 P08183 4/20 0.50
AURKA O14965 7/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CDK2 P24941 6/20 0.48
CCNA2 P20248 5/20 0.48
CCNA1 P78396 5/20 0.48
RET P07949 2/20 0.48
KDR P35968 2/20 0.48
NTRK1 P04629 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
CHEK1 O14757 1/20 0.48
DCLK1 O15075 1/20 0.48
MAPK13 O15264 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48
JAK2 O60674 1/20 0.48

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
SCHEMBL2921595 0.91 AURKA (0.53) AURKANPC1RAB9ACDK2CCNA2
SCHEMBL2922501 0.88 AURKA (0.63) AURKACDK2CCNA2CCNA1RET
SCHEMBL2918895 0.87 NTRK1 (0.56) ABCB1AURKANPC1RAB9ACDK2
SCHEMBL2918119 0.87 AURKA (0.52) AURKACDK2CCNA2CCNA1RET
SCHEMBL2924015 0.86 POLB (0.52) ABCG2ABCB1AURKANPC1CDK2
SCHEMBL2915145 0.86 TAAR1 (0.47) AURKACDK2CCNA2CCNA1RET
SCHEMBL2918015 0.86 CDK2 (0.46) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2916223 0.85 AURKA (0.61) AURKACDK2CCNA2CCNA1NTRK1
SCHEMBL2925495 0.85 DRD4 (0.52) ABCG2ABCB1AURKACDK2CCNA2
SCHEMBL2918524 0.85 AURKA (0.59) AURKACDK2CCNA2CCNA1NTRK1

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 ABCG2 1976/4885ABCB1 983/4885AURKA 347/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ABCG2 2038/4885ABCB1 482/4885AURKA 600/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ABCG2 1976/4885ABCB1 983/4885AURKA 347/4885

“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.