SCHEMBL2420481

SCHEMBL2420481

O=C(Nc1n[nH]c2sc(C(=O)NCCN3CCOCC3)cc12)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.56
EPHX2 P34913 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
HTR3A P46098 2/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
BCL3 P20749 1/20 0.49
PARP1 P09874 1/20 0.48
LMNA P02545 1/20 0.47
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR1A P08908 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL2417659 0.91 ALDH1A1 (0.53) CD274ALDH1A1KDM4EHPGDICAM1
SCHEMBL2416784 0.91 ALDH1A1 (0.59) CD274EPHX2SMN1; SMN2HTR3AALDH1A1
SCHEMBL2416065 0.91 ALDH1A1 (0.56) CD274EPHX2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2421223 0.90 ALDH1A1 (0.50) CD274EPHX2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2416429 0.89 ALDH1A1 (0.58) CD274ALDH1A1KDM4EHPGDBCL3
SCHEMBL2412603 0.86 BCL3 (0.61) SMN1; SMN2ALDH1A1KDM4EHPGDBCL3
SCHEMBL2415977 0.85 KDM4E (0.53) EPHX2ALDH1A1KDM4EHPGDPARP1
SCHEMBL4760489 0.84 CD274 (0.52) CD274EPHX2SMN1; SMN2HTR3AALDH1A1
SCHEMBL2414796 0.84 AURKA (0.64) KDM4ELMNAMAPTAURKA
SCHEMBL2418748 0.83 RIPK1 (0.49) EPHX2SMN1; SMN2MAPTHTTAURKA

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 CD274 1769/4885EPHX2 2823/4885SMN1; SMN2 4291/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 CD274 1769/4885EPHX2 2823/4885SMN1; SMN2 4291/4885

“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.