SCHEMBL2918937

SCHEMBL2918937

O=C(/C=C/c1cccs1)Nc1[nH]nc2c1CN(C(=O)NCc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.55
ALDH1A1 P00352 7/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 9/20 0.41
NPC1 O15118 8/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
GLA P06280 2/20 0.41
PSMD14 O00487 1/20 0.41
TP53 P04637 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
POLB P06746 3/20 0.38
NOD1 Q9Y239 1/20 0.38
RECQL P46063 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
SCHEMBL2918943 1.00 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAHPGDGAA
SCHEMBL2919669 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAHPGDGAA
SCHEMBL2919664 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNAHPGDGAA
SCHEMBL2920822 0.88 MMP1 (0.49) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL2920827 0.88 MMP1 (0.49) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL2921604 0.88 MMP1 (0.49) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL2914577 0.87 RAB9A (0.48) SMN1; SMN2ALDH1A1LMNAHPGDRAB9A
SCHEMBL2914586 0.87 RAB9A (0.48) SMN1; SMN2ALDH1A1LMNAHPGDRAB9A
SCHEMBL2922837 0.86 MMP1 (0.43) SMN1; SMN2KDM4EHTTPOLB
SCHEMBL2922843 0.86 MMP1 (0.43) SMN1; SMN2KDM4EHTTPOLB

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 SMN1; SMN2 3514/4885ALDH1A1 4090/4885LMNA 2208/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 SMN1; SMN2 2568/4885ALDH1A1 3455/4885LMNA 3028/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 SMN1; SMN2 3514/4885ALDH1A1 4090/4885LMNA 2208/4885

“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.