SCHEMBL2916016

SCHEMBL2916016

O=C(Nc1[nH]nc2c1CN(C(=O)Cc1ccccc1)C2)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.47
NTRK1 P04629 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
ATM Q13315 1/20 0.42
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
MEN1 O00255 1/20 0.39
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL2920751 0.84 AURKA (0.55) AURKANTRK1MAPTRAB9ANPC1
SCHEMBL2916018 0.83 AURKA (0.69) AURKANTRK1CCNA2CDK2CCNA1
SCHEMBL2917421 0.82 CCNA2 (0.49) AURKAMAPTALDH1A1RAB9ANPC1
SCHEMBL2917579 0.82 AURKA (0.70) AURKAALDH1A1RAB9ANPC1CCNA2
SCHEMBL2919277 0.81 CCNA2 (0.52) AURKAMAPTALDH1A1CCNA2CDK2
SCHEMBL2923157 0.81 AURKA (0.51) AURKANTRK1NPC1CCNA2CDK2
SCHEMBL2918507 0.80 AURKA (0.46) AURKANTRK1KDM4EMAPTALDH1A1
SCHEMBL2917740 0.80 NTRK1 (0.51) AURKANTRK1MAPTALDH1A1RAB9A
SCHEMBL2921059 0.79 NPC1 (0.45) AURKAKDM4EALDH1A1RAB9ANPC1
SCHEMBL2922880 0.79 SMN1; SMN2 (0.43) NTRK1MAPTALDH1A1RAB9ANPC1

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 347/4885NTRK1 2610/4885KDM4E 2358/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885NTRK1 4175/4885KDM4E 3487/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885NTRK1 2610/4885KDM4E 2358/4885

“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.