SCHEMBL2415468

SCHEMBL2415468

O=C(Nc1n[nH]c2sc(C(=O)N3CCOCC3)cc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 1/20 0.47
AURKA O14965 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 2/20 0.44
FLT3 P36888 2/20 0.44
MAPK10 P53779 1/20 0.44
GLA P06280 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
SCHEMBL2418748 0.90 RIPK1 (0.49) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL2419177 0.90 MAPK1 (0.48) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL2420771 0.90 RAB9A (0.46) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL2416385 0.89 MAPT (0.47) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL2419001 0.88 BTK (0.46) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL2416269 0.88 KDR (0.55) RAB9ANPC1KMT2AAURKAALDH1A1
SCHEMBL2417070 0.88 SCD (0.52) SMN1; SMN2RAB9ANPC1KMT2AAURKA
SCHEMBL2416965 0.86 RIPK1 (0.50) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL2421327 0.86 TSHR (0.52) SMN1; SMN2TSHRRAB9ANPC1HTT
SCHEMBL2411373 0.86 CNR1 (0.52) SMN1; SMN2TSHRRAB9ANPC1HTT

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 7 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-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

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 SMN1; SMN2 4291/4885TSHR 3263/4885RAB9A 2089/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 SMN1; SMN2 4291/4885TSHR 3263/4885RAB9A 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.