Sugi Predict

Sugi Predict / Compounds / SCHEMBL4478732

SCHEMBL4478732

SCHEMBL4478732

Nc1ccc(Cc2nsc3ncnc(N)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.57
▸ CYP3A4 P08684 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LIMK1 P53667 6/20 0.35
▸ DAPK3 O43293 3/20 0.35
▸ MAP4K4 O95819 3/20 0.35
▸ RET P07949 3/20 0.35
▸ PRKACA P17612 3/20 0.35
▸ CSNK1A1 P48729 3/20 0.35
▸ CLK2 P49760 3/20 0.35
▸ GSK3A P49840 3/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ RPS6KA3 P51812 3/20 0.35
▸ CDK5 Q00535 3/20 0.35
▸ MAP4K2 Q12851 3/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ CLK4 Q9HAZ1 3/20 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
SCHEMBL4486753 0.83 KDR (0.51) KDRCYP3A4PIK3CDPIK3CAPIK3CB
SCHEMBL4469181 0.73 KDR (1.00) KDRLIMK1DAPK3MAP4K4RET
SCHEMBL4489725 0.72 KDR (1.00) KDRLIMK1MAP4K4RETCLK2
SCHEMBL13764536 0.66 KDR (0.53) KDRLIMK1DAPK3MAP4K4RET
SCHEMBL31165917 0.65 KDR (0.62) KDRDAPK3MAP4K4RETPRKACA
SCHEMBL3482770 0.60 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL6362775 0.60 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
4,4'-Methylenedianiline SCHEMBL28001 0.60 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL8094139 0.60 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL1304762 0.60 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1L3MBTL1

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
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 — — EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 — — US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 — — US disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 — — US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 — — 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 (3 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885CYP3A4 2280/4885ALDH1A1 1463/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KDR 391/4885CYP3A4 2721/4885ALDH1A1 2048/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KDR 425/4885CYP3A4 2280/4885ALDH1A1 1463/4885

“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.