SCHEMBL2944470

SCHEMBL2944470

CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)c2cc[nH]c2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.46
STK25 O00506 1/20 0.39
EPHX2 P34913 1/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALPL P05186 1/20 0.38
TP53 P04637 3/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 2/20 0.38
F2 P00734 1/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL2915071 0.87 AURKA (0.48) AURKASTK25HPGDALOX15SMN1; SMN2
SCHEMBL2922576 0.87 AURKA (0.51) AURKASTK25HPGDALOX15SMN1; SMN2
SCHEMBL2920863 0.84 AURKA (0.50) AURKASTK25SMN1; SMN2NPC1RAB9A
SCHEMBL4232702 0.84 AURKA (0.46) AURKASTK25HPGDSMN1; SMN2NPC1
SCHEMBL2922301 0.83 AURKA (0.51) AURKASTK25HPGDALOX15SMN1; SMN2
SCHEMBL2915730 0.83 AURKA (0.49) AURKASTK25EPHX2HPGDALOX15
SCHEMBL2917270 0.82 RAB9A (0.49) AURKASMN1; SMN2NPC1RAB9ATP53
SCHEMBL2944473 0.82 AURKA (0.67) AURKA
SCHEMBL2924944 0.80 AURKA (0.70) AURKAHPGDNPC1RAB9ARECQL
SCHEMBL2923429 0.80 RAB9A (0.48) AURKASMN1; SMN2NPC1RAB9AALPL

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 347/4885STK25 73/4885EPHX2 2894/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885STK25 78/4885EPHX2 3311/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885STK25 73/4885EPHX2 2894/4885

“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.