SCHEMBL2916669

SCHEMBL2916669

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)Cc2ccc(OCC(=O)N4CCCC4)cc2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.51
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PANK3 Q9H999 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
GPR183 P32249 2/20 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
SCHEMBL2917697 0.90 AURKA (0.53) AURKANPC1MEN1KMT2ARAB9A
SCHEMBL2916751 0.90 AURKA (0.49) AURKAALDH1A1
SCHEMBL2913665 0.89 USP2 (0.48) AURKANPC1MEN1KMT2ARAB9A
SCHEMBL2916672 0.85 AURKA (0.72) AURKANPC1MEN1KMT2ARAB9A
SCHEMBL2917579 0.84 AURKA (0.70) AURKANPC1MEN1KMT2ARAB9A
SCHEMBL2921579 0.81 AURKA (0.45) AURKANPC1MEN1KMT2ARAB9A
SCHEMBL2918066 0.81 AURKA (0.54) AURKASMN1; SMN2MAPTEPHX2NR1H4
SCHEMBL2924443 0.79 AURKA (0.48) AURKANPC1MEN1KMT2ARAB9A
SCHEMBL2916776 0.79 AURKA (0.57) AURKANPC1MEN1KMT2ARAB9A
SCHEMBL2921481 0.78 FLT3 (0.51) AURKA

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 347/4885NPC1 2542/4885MEN1 3952/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885NPC1 1048/4885MEN1 4143/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885NPC1 2542/4885MEN1 3952/4885

“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.