SCHEMBL2924323

SCHEMBL2924323

O=C(Nc1ccccc1)NN1CCc2n[nH]c(NC(=O)c3ccccc3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.42
FLT3 P36888 4/20 0.41
KDR P35968 3/20 0.41
AURKA O14965 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL2923314 0.91 PGR (0.42) FLT3KDRAURKANPC1RAB9A
SCHEMBL2925059 0.91 AURKA (0.42) FLT3KDRAURKANPC1RAB9A
SCHEMBL2916989 0.91 NPC1 (0.45) AURKANPC1RAB9AMEN1KMT2A
SCHEMBL2913968 0.89 NPC1 (0.45) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL2923248 0.88 KMT2A (0.41) FLT3KDRAURKANPC1RAB9A
SCHEMBL2924670 0.87 NTRK1 (0.41) FLT3KDRAURKANPC1RAB9A
SCHEMBL2914310 0.87 CDK2 (0.39) AURKANPC1RAB9ACCNA2CDK2
SCHEMBL2922431 0.85 MAPT (0.41) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2925551 0.85 CCNA2 (0.46) AURKANPC1RAB9AMEN1KMT2A
SCHEMBL2915673 0.84 PTPN1 (0.45) FLT3KDRAURKANPC1RAB9A

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 SIRT1 1552/4885FLT3 437/4885KDR 846/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 SIRT1 943/4885FLT3 605/4885KDR 2262/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 SIRT1 1552/4885FLT3 437/4885KDR 846/4885

“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.