SCHEMBL2923883

SCHEMBL2923883

CCNC(=O)NN1CCc2c(n[nH]c2NC(=O)c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.40
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALPL P05186 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.36
F2 P00734 1/20 0.36
KMT2A Q03164 1/20 0.36
TNKS2 Q9H2K2 2/20 0.35
TNKS O95271 1/20 0.35

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
SCHEMBL2916446 0.91 AURKA (0.41) AURKAKDRFLT3SMN1; SMN2MAPK1
SCHEMBL2915964 0.87 SMN1; SMN2 (0.39) AURKAFLT3SMN1; SMN2MAPTTP53
SCHEMBL2920027 0.82 SMN1; SMN2 (0.42) AURKASMN1; SMN2MAPK1LMNAHTT
SCHEMBL2919904 0.82 NTRK1 (0.41) KDRFLT3
SCHEMBL2924670 0.82 NTRK1 (0.41) AURKAKDRFLT3GAANPC1
SCHEMBL2919780 0.79 SMN1; SMN2 (0.39) AURKAFLT3SMN1; SMN2ALDH1A1MAPT
SCHEMBL2921976 0.79 TP53 (0.47) AURKASMN1; SMN2MAPK1MAPTTP53
SCHEMBL2925059 0.79 AURKA (0.42) AURKAKDRFLT3LMNAMAPT
SCHEMBL2922807 0.78 AURKA (0.54) AURKAFLT3SMN1; SMN2MAPK1HTT
SCHEMBL2925528 0.78 SMN1; SMN2 (0.39) AURKAFLT3SMN1; SMN2MAPTTP53

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 347/4885KDR 846/4885FLT3 437/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885KDR 2262/4885FLT3 605/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885KDR 846/4885FLT3 437/4885

“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.