SCHEMBL2415980

SCHEMBL2415980

COc1ccccc1C(=O)Nc1n[nH]c2sc(C(=O)Nc3ccc(F)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
KDR P35968 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CYP1A2 P05177 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL2417419 0.93 MAPT (0.52) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL2411496 0.93 KCNK3 (0.52) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL2416366 0.92 MAPT (0.51) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL2416359 0.91 MAPT (0.50) MAPTTP53RAB9AALDH1A1KDM4E
SCHEMBL2418835 0.89 MAPT (0.48) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL2417373 0.88 MEN1 (0.48) MAPTRAB9ANPC1KDM4EHPGD
SCHEMBL2412021 0.88 LMNA (0.56) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL2418490 0.86 BDKRB1 (0.52) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL4632642 0.86 ADORA3 (0.48) MAPTTP53RAB9ANPC1HSD17B10
SCHEMBL2419036 0.86 TDP1 (0.52) MAPTRAB9ANPC1KDM4EHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US disclosed
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 WO 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 (2 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 MAPT 2293/4885TP53 282/4885RAB9A 2089/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 MAPT 2293/4885TP53 282/4885RAB9A 2089/4885

“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.