SCHEMBL746263

SCHEMBL746263

CCOC(=O)[N+]1(C(=O)NC(CC)(CC)c2ccccc2)N=C(NC(=O)c2ccc(F)cc2)c2ccsc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BRAF P15056 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.34
CASR P41180 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTPN1 P18031 1/20 0.33
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL746264 0.67 LMNA (0.41) LMNAKDM4EBRAFKMT2ACASR
SCHEMBL4632612 0.64 ADORA2A (0.41) LMNAKDM4EBRAFKMT2AMAPK1
SCHEMBL746262 0.63 CASR (0.36) LMNAKDM4EBRAFKMT2AMAPK1
SCHEMBL4199229 0.61 KDM4E (0.62) LMNAKDM4EBRAFKMT2ASMN1; SMN2
SCHEMBL739913 0.60 AURKA (0.42) LMNAKDM4EKMT2ACASRSMN1; SMN2
SCHEMBL4086381 0.60 FLT3 (0.42) KDM4ECASRSMN1; SMN2NPC1RAB9A
SCHEMBL12614889 0.59 KDM4E (0.45) KDM4EKMT2AMAPK1CASRPTPN1
SCHEMBL5980836 0.59 KMT2A (0.45) LMNAKDM4EKMT2AMAPK1ADORA3
SCHEMBL16264406 0.58 CYP2C9 (0.53) LMNAKDM4EBRAFNPC1RAB9A
SCHEMBL11035301 0.57 KDM4E (0.47) LMNAKDM4EKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138217-B2 Aurora kinase inhibitors; proliferative disorders; anticancer agents; antitumor agents; N-(1-methyl-1-phenylethyl)-3-((4-morpholin-4-ylbenzoyl)amino)-1H-thieno(2,3-c)pyrazole-5-carboxamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-03-20 US disclosed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 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 (1 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-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 LMNA 3398/4885KDM4E 1432/4885BRAF 26/4885

“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.