SCHEMBL740739

SCHEMBL740739

CCOC(=O)n1nc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c2cc(C(=O)OC(C)(C)C)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 5/20 0.42
BTK Q06187 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDR P35968 2/20 0.41
ABL1 P00519 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 1/20 0.41
TBK1 Q9UHD2 6/20 0.40
FLT3 P36888 2/20 0.40
KIT P10721 1/20 0.40
F10 P00742 1/20 0.40
BCR P11274 1/20 0.39
HDAC1 Q13547 1/20 0.39
FLT1 P17948 1/20 0.39

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
Hydrochloric Acid SCHEMBL739314 0.90 IKBKE (0.44) IKBKEBTKHDAC6KDRABL1
SCHEMBL741671 0.89 AURKA (0.46) BTKKDRABL1MAPTTSHR
SCHEMBL741049 0.88 PDE7A (0.37) LMNAMAPTTSHRMAPK1STAT3
SCHEMBL739785 0.86 ABL1 (0.57) IKBKEBTKHDAC6KDRABL1
SCHEMBL5980858 0.85 PDE7A (0.35) LMNAMAPTTSHRMAPK1STAT3
SCHEMBL740459 0.84 FLT3 (0.42) KDRLMNAMAPTMAPK1SMN1; SMN2
SCHEMBL742441 0.84 ADORA2A (0.46) LMNAMAPT
SCHEMBL1433446 0.83 ABL1 (0.57) BTKHDAC6KDRABL1FLT3
SCHEMBL742170 0.83 HDAC1 (0.41) IKBKEBTKHDAC6KDRABL1
SCHEMBL739309 0.82 CSNK1D (0.45) BTKLMNAMAPTMAPK1RAB9A

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 5 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
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 (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 IKBKE 439/4885BTK 352/4885HDAC6 978/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 IKBKE 440/4885BTK 345/4885HDAC6 975/4885

“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.