Sugi Predict

Sugi Predict / Compounds / SCHEMBL740940

SCHEMBL740940

SCHEMBL740940

CCOC(=O)n1nc(NC(=O)c2ccc(F)cc2)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)sc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPC1 O15118 1/20 0.40
▸ PHGDH O43175 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ PTGER4 P35408 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
SCHEMBL740936 0.91 AURKA (0.52) ALDH1A1LMNAMAPTAURKA
SCHEMBL739772 0.89 KDM4E (0.41) ALDH1A1LMNANPC1KMT2ASTAT3
SCHEMBL742629 0.86 AURKA (0.46) LMNAADORA3ADORA2AADORA1PTGER4
SCHEMBL742843 0.86 LMNA (0.47) ALDH1A1LMNAKMT2AADORA3ADORA2A
SCHEMBL742441 0.83 ADORA2A (0.46) ALDH1A1LMNAKMT2AADORA3ADORA2A
SCHEMBL742246 0.82 AURKA (0.50) ALDH1A1KMT2AROCK2ROCK1BRAF
SCHEMBL4633164 0.80 ABL1 (0.44) ALDH1A1LMNAKMT2AADORA3ADORA2A
SCHEMBL4632612 0.80 ADORA2A (0.41) ALDH1A1LMNANPC1KMT2AADORA3
SCHEMBL740404 0.80 AURKA (0.53) ALDH1A1LMNAROCK2ROCK1MAPT
SCHEMBL741756 0.79 BRAF (0.39) ALDH1A1LMNAKMT2AADORA3ADORA2A

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 ALDH1A1 1584/4885LMNA 3383/4885NPC1 3113/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 ALDH1A1 1516/4885LMNA 3398/4885NPC1 3026/4885

“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.