SCHEMBL742441

SCHEMBL742441

CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2cc(C(=O)OC(C)(C)C)sc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.46
ADORA3 P0DMS8 5/20 0.46
ADORA1 P30542 4/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BRAF P15056 1/20 0.40
CNR2 P34972 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.39
PDE7A Q13946 1/20 0.38
ELANE P08246 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL741049 0.89 PDE7A (0.37) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL742843 0.89 LMNA (0.47) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL5980858 0.86 PDE7A (0.35) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL739309 0.85 CSNK1D (0.45) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL741671 0.85 AURKA (0.46) HPGDMAPTKMT2APDE7A
SCHEMBL4633164 0.84 ABL1 (0.44) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL740739 0.84 IKBKE (0.42) MAPTLMNA
SCHEMBL742599 0.83 KDM4E (0.46) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL740940 0.83 ALDH1A1 (0.44) ADORA2AADORA3ADORA1ALDH1A1HPGD
SCHEMBL740459 0.83 FLT3 (0.42) ALDH1A1HPGDMAPTKDM4ELMNA

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-8481584-B2 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-28 US disclosed
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
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP disclosed
EP-1711177-A1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS Pfizer Italia S.r.l. (IT) 2006-10-18 EP 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
WO-2005074922-A1 1H-THIENO[2,3-c]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS PFIZER ITALIA S.R.L. (IT) 2005-08-18 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-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 ADORA2A 2399/4885ADORA3 1884/4885ADORA1 2849/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 ADORA2A 2466/4885ADORA3 1948/4885ADORA1 2764/4885

“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.