SCHEMBL2913886

SCHEMBL2913886

O=C(/C=C/c1ccncc1)Nc1[nH]nc2c1CN(S(=O)(=O)Cc1ccccc1)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.50
GPR183 P32249 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.38
MITF O75030 1/20 0.36
HTT P42858 1/20 0.36
MDM2 Q00987 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL2913891 1.00 HDAC1 (0.50) HDAC1GPR183ALDH1A1LMNAMAPT
SCHEMBL2924262 0.94 HDAC1 (0.53) HDAC1GPR183ALDH1A1LMNAMAPT
SCHEMBL2924258 0.94 HDAC1 (0.53) HDAC1GPR183ALDH1A1LMNAMAPT
SCHEMBL2925542 0.94 HDAC1 (0.53) HDAC1GPR183ALDH1A1LMNAMAPT
SCHEMBL2920337 0.90 NAMPT (0.46) HDAC1NPC1RAB9ACHRNB2CHRNA7
SCHEMBL2920334 0.90 NAMPT (0.46) HDAC1NPC1RAB9ACHRNB2CHRNA7
SCHEMBL2919905 0.86 HDAC1 (0.46) HDAC1GPR183ALDH1A1LMNAMAPT
SCHEMBL2919902 0.86 HDAC1 (0.46) HDAC1GPR183ALDH1A1LMNAMAPT
SCHEMBL2919076 0.86 SMN1; SMN2 (0.46) HDAC1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2919079 0.86 SMN1; SMN2 (0.46) HDAC1ALDH1A1LMNAMAPTSMN1; SMN2

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 HDAC1 604/4885GPR183 2590/4885ALDH1A1 4090/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 HDAC1 373/4885GPR183 2315/4885ALDH1A1 3455/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 HDAC1 604/4885GPR183 2590/4885ALDH1A1 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.