SCHEMBL2917352

SCHEMBL2917352

O=C(Nc1[nH]nc2c1CN(C(=O)c1ccco1)C2)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 6/20 0.55
HPGD P15428 3/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 1/20 0.52
CCNA2 P20248 3/20 0.49
CDK2 P24941 3/20 0.49
CCNA1 P78396 3/20 0.49
AURKA O14965 4/20 0.49
PKM P14618 4/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
FABP1 P07148 1/20 0.47
FABP6 P51161 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
CTNNB1 P35222 1/20 0.44

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
SCHEMBL2920519 0.84 CCNA2 (0.68) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL2917357 0.84 CCNA2 (0.72) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL2917421 0.84 CCNA2 (0.49) MAPTSMN1; SMN2ALDH1A1CCNA2CDK2
SCHEMBL2924944 0.82 AURKA (0.70) MAPTALDH1A1HPGDKMT2AAURKA
SCHEMBL2920840 0.81 AURKA (0.51) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL2914803 0.79 CCNA2 (0.55) MAPTSMN1; SMN2ALDH1A1KMT2ACCNA2
SCHEMBL2919159 0.79 AURKA (0.73) MAPTSMN1; SMN2AURKA
SCHEMBL2919632 0.78 AURKA (0.51) MAPTSMN1; SMN2ALDH1A1HPGDCCNA2
SCHEMBL2917486 0.76 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1KMT2ACCNA2
SCHEMBL2922367 0.75 RAB9A (0.47) SMN1; SMN2ALDH1A1KMT2AHSD17B10CCNA2

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 MAPT 1172/4885SMN1; SMN2 3514/4885ALDH1A1 4090/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MAPT 1104/4885SMN1; 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 MAPT 1172/4885SMN1; 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.