SCHEMBL2914400

SCHEMBL2914400

CC(C)CCN1Cc2n[nH]c(NC(=O)c3ccc(C(C)(C)C)cc3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALPL P05186 1/20 0.39
TP53 P04637 3/20 0.38
RECQL P46063 1/20 0.38
F2 P00734 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL2916239 0.84 AURKA (0.50) AURKASMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL2919906 0.84 AURKA (0.49) AURKASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL2914404 0.82 AURKA (0.59) AURKA
SCHEMBL2922242 0.81 AURKA (0.53) AURKASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL2920863 0.78 AURKA (0.50) AURKASMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL2925528 0.77 SMN1; SMN2 (0.39) AURKASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2916234 0.77 AURKA (0.44) AURKASMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL2921766 0.77 AURKA (0.43) AURKASMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL2918786 0.76 MAPT (0.49) AURKASMN1; SMN2MAPTMAPK1HTT
SCHEMBL2919885 0.76 STK25 (0.46) AURKASMN1; SMN2ALDH1A1LMNARAB9A

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 12 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
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO 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 347/4885SMN1; SMN2 3514/4885ALDH1A1 4090/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885SMN1; SMN2 2568/4885ALDH1A1 3455/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885SMN1; SMN2 3514/4885ALDH1A1 4090/4885

“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.