SCHEMBL2920718

SCHEMBL2920718

COc1ccccc1C(=O)Nc1[nH]nc2c1CN(S(=O)(=O)Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HIF1A Q16665 1/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 7/20 0.43
MAPK1 P28482 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HPGD P15428 4/20 0.42
TP53 P04637 3/20 0.42
GLA P06280 1/20 0.42
POLB P06746 2/20 0.42
BCHE P06276 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL2920017 0.91 ALDH1A1 (0.44) ALDH1A1HIF1ATSHRMAPTHPGD
SCHEMBL2922589 0.90 TSHR (0.49) ALDH1A1HIF1ATSHRMAPTMAPK1
SCHEMBL2923979 0.87 KMT2A (0.41) ALDH1A1TSHRMAPTHPGDBCHE
SCHEMBL2917911 0.87 KMT2A (0.43) ALDH1A1HIF1ATSHRMAPTHPGD
SCHEMBL2924979 0.86 KMT2A (0.39) ALDH1A1TSHRMAPTHPGDTP53
SCHEMBL2917016 0.86 NPC1 (0.44) ALDH1A1MAPTMAPK1TP53POLB
SCHEMBL2920582 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMAPTMAPK1ADORA3
SCHEMBL2922829 0.86 SMN1; SMN2 (0.52) ALDH1A1TSHRMAPTMAPK1ADORA3
SCHEMBL2916748 0.85 RAB9A (0.45) MAPTTP53POLBMEN1KMT2A
SCHEMBL2917192 0.85 BCHE (0.40) ALDH1A1MAPTHPGDTP53BCHE

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 ALDH1A1 4090/4885HIF1A 2106/4885TSHR 4177/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ALDH1A1 3455/4885HIF1A 2756/4885TSHR 4265/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885HIF1A 2106/4885TSHR 4177/4885

“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.