Sugi Predict

Sugi Predict / Compounds / SCHEMBL4470795

SCHEMBL4470795

SCHEMBL4470795

CN(C)C(=O)CCCC(=C(C#N)C#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ FAAH O00519 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESRRG P62508 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34

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
SCHEMBL4478277 0.83 HDAC3 (0.49) PTGS2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL14380365 0.71 L3MBTL1 (0.71) KMT2AALOX5MAPTL3MBTL1LMNA
SCHEMBL4415163 0.70 ALDH1A1 (0.44) KMT2APTGS2ALDH1A1MAPTMEN1
SCHEMBL6117869 0.70 ESR1 (0.48) KMT2APTGS2ALDH1A1MAPTMEN1
SCHEMBL29227309 0.69 KEAP1 (0.44) ALDH1A1MAPTTDP1RAB9ANPC1
SCHEMBL940512 0.69 KMT2A (0.63) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL8493143 0.67 ALOX5 (0.69) KMT2AALOX5ALDH1A1MAPTTDP1
SCHEMBL27832896 0.67 PTGS2 (0.56) PTGS2ALDH1A1MAPTLMNAESR1
SCHEMBL1930563 0.67 CYP19A1 (0.58) KMT2APTGS2ALDH1A1MAPTMEN1
SCHEMBL14362835 0.67 ALDH1A1 (0.44) KMT2APTGS2ALDH1A1MAPTMEN1

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
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
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 — — EP 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
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 — — 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 (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 KMT2A 1430/4885PTGS2 1542/4885ALOX5 4023/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 KMT2A 1294/4885PTGS2 1497/4885ALOX5 3771/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK KMT2A 1430/4885PTGS2 1542/4885ALOX5 4023/4885

“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.