SCHEMBL746264

SCHEMBL746264

CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2c(C(=O)NC(CC)(CC)c3ccccc3)csc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASR P41180 4/20 0.41
ADORA2A P29274 4/20 0.37
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 3/20 0.37
BRAF P15056 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
APP P05067 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL745355 0.92 LMNA (0.41) LMNAKDM4EADORA2AADORA3ADORA1
SCHEMBL4632612 0.83 ADORA2A (0.41) LMNAKDM4ECASRADORA2AADORA3
SCHEMBL4633164 0.75 ABL1 (0.44) LMNAKDM4EADORA2AADORA3ADORA1
SCHEMBL742843 0.71 LMNA (0.47) LMNAKDM4EADORA2AADORA3ADORA1
SCHEMBL742441 0.69 ADORA2A (0.46) LMNAKDM4EADORA2AADORA3ADORA1
SCHEMBL742629 0.68 AURKA (0.46) LMNAKDM4EADORA2AADORA3ADORA1
SCHEMBL741756 0.67 BRAF (0.39) LMNAKDM4EADORA2AADORA3ADORA1
SCHEMBL746263 0.67 LMNA (0.39) LMNAKDM4ECASRADORA2AADORA3
SCHEMBL740605 0.66 BRAF (0.38) LMNAKDM4EADORA2AADORA3ADORA1
SCHEMBL739913 0.66 AURKA (0.42) LMNAKDM4ECASRNPC1RAB9A

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 1432/4885CASR 4085/4885

“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.