SCHEMBL2926306

SCHEMBL2926306

CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCCC4=O)cc3)c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
GFER P55789 1/20 0.46
TSHR P16473 2/20 0.44
HPGD P15428 4/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
AURKA O14965 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
CYP1A2 P05177 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
SCHEMBL2924765 0.87 HPGD (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2916001 0.86 CDK2 (0.55) SMN1; SMN2TSHRHPGDMAPK1MAPT
SCHEMBL2914591 0.86 CCNA2 (0.56) CCNA2CDK2CCNA1CYP1A2CYP2D6
SCHEMBL2916750 0.84 CDK2 (0.46) SMN1; SMN2TSHRHPGDMAPTCCNA2
SCHEMBL2915637 0.83 RAB9A (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2914948 0.83 AURKA (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2922146 0.82 CCNA2 (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL2916745 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2921777 0.81 CCNA2 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2918222 0.80 CCNA2 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1GFER

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 RAB9A 1223/4885NPC1 2542/4885SMN1; SMN2 3514/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 RAB9A 1491/4885NPC1 1048/4885SMN1; SMN2 2568/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 RAB9A 1223/4885NPC1 2542/4885SMN1; SMN2 3514/4885

“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.