Sugi Predict

Sugi Predict / Compounds / SCHEMBL14050873

SCHEMBL14050873

SCHEMBL14050873

C[S+]([O-])c1cc(C2CCCN(C(=O)OCc3ccccc3)C2)nc2c(/C=C/c3ccccc3)cnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ TRPC3 Q13507 2/20 0.38
▸ TRPC7 Q9HCX4 2/20 0.38
▸ BCL9 O00512 6/20 0.37
▸ CTNNB1 P35222 6/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 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
SCHEMBL14050909 0.87 CHEK1 (0.42) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL14050866 0.86 JAK2 (0.39) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL14050867 0.78 JAK2 (0.41) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL13901233 0.76 JAK2 (0.46) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL13901347 0.74 JAK2 (0.44) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL13901490 0.74 JAK2 (0.44) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL13305223 0.74 TRPC3 (0.44) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL13305009 0.73 USP30 (0.45) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL12953255 0.73 CHEK1 (0.48) JAK2JAK1TYK2JAK3TRPC3
SCHEMBL12953232 0.73 TRPC3 (0.44) JAK2JAK1TYK2JAK3TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
US-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2007-09-27 — — US disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — 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-20070225270-A1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 JAK2 246/4885JAK1 164/4885TYK2 684/4885

“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.

Send feedback