Sugi Predict

Sugi Predict / Compounds / SCHEMBL1055249

SCHEMBL1055249

SCHEMBL1055249

Cc1c(F)c(F)cc(NC(N)=O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ F10 P00742 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CES2 O00748 1/20 0.33

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
SCHEMBL4129959 0.85 KIF11 (0.41) KIF11ALDH1A1HTTHDAC1HDAC6
SCHEMBL8112460 0.83 HDAC1 (0.44) ALDH1A1HDAC1HDAC6LMNAPOLB
SCHEMBL2677245 0.81 L3MBTL1 (0.37) ALDH1A1HTTTP53KDM4EGAA
SCHEMBL7559582 0.79 HTT (0.54) ALDH1A1HTTHDAC1HDAC6TP53
SCHEMBL23832033 0.77 KIF11 (0.39) KIF11ALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL4621173 0.75 CYP17A1 (0.42) LMNAPOLBCA1CA9
SCHEMBL30682783 0.74 KIF11 (0.51) KIF11ALDH1A1HTTHDAC1LMNA
SCHEMBL13831 0.74 KIF11 (0.51) KIF11ALDH1A1HTTHDAC1LMNA
SCHEMBL11417960 0.74 EPHX2 (0.51) ALDH1A1HTTLMNAPOLBKDM4E
SCHEMBL4703210 0.73 MAPT (0.47) ALDH1A1HDAC1HDAC6LMNAMAPK1

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735307-B1 INHIBITORS OF IAP NOVARTIS AG (CH) 2012-08-29 — — EP claimed
US-10329626-B2 NOL3 is a predictor of patient outcome DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-25 — — US disclosed
EP-1965865-B1 COMBINATION OF AN IAP-INHIBITOR AND A TAXANE NOVARTIS AG (CH) 2018-05-16 — — EP disclosed
US-9533980-B2 NOL3 is a predictor of patient outcome DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-01-03 — — US disclosed
EP-2537846-B1 Intermediate compounds for preparing SMAC peptidomimetics NOVARTIS AG (CH) 2015-09-16 — — EP disclosed
US-8906936-B2 Pharmaceutical combination comprising co-administration of taxane and N-(1-cyclohexyl-2-{2-[4-(4-fluoro-benzoyl)-thiazol-2-yl]-pyrrolidin-1-yl}-2-oxo-ethyl)-2-methylamino-propionamide or pharmaceutically acceptable salt(s) thereof NOVARTIS AG (CH) 2014-12-09 — — US disclosed
EP-2102229-B1 PYRROLYDINE DERIVATIVES AS IAP INHIBITORS NOVARTIS AG (CH) 2014-03-26 — — EP disclosed
US-20140024687-A1 Combinations of Vascular Disrupting Agents with Inhibitor of Apoptosis Proteins Antagonists CONWAY COLLEEN ANN (US) 2014-01-23 — — US disclosed
US-20140004101-A1 SMAC PEPTIDOMETICS USEFUL AS IAP INHIBITORS NOVARTIS AG (CH) 2014-01-02 — — US disclosed
US-8552003-B2 (S)-N-((S)-1-cyclohexyl-2-{(S)-2-[4-4-(4-fluorobenzoyl)-thiazol-2-yl]pyrrolidin-1-yl}-2-oxoethyl)-2-methylamino-propionamide, or pharmaceutically acceptable salts thereof and their uses NOVARTIS AG (CH) 2013-10-08 — — US disclosed
EP-1734968-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES Novartis AG (CH) 2006-12-27 — — EP disclosed
WO-2006107963-A2 PROCESS FOR PREPARING DIPEPTIDE AMIDES NOVARTIS AG (CH) 2006-10-12 — — WO disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 — — EP disclosed
WO-2006010594-A1 INHIBITORS OF HSP90 NOVARTIS AG (CH) 2006-02-02 — — WO disclosed
WO-2006010595-A1 INHIBITORS OF HSP90 NOVARTIS AG (CH) 2006-02-02 — — WO disclosed
WO-2005097135-A2 USE OF 9H-PURINE-2,6-DIAMINE DERIVATIVES IN THE TREATMENT OF PROLIFERATIVE DISEASES AND NOVEL 9H-PURINE-2,6-DIAMINE DERIVATIVES NOVARTIS AG (CH) 2005-10-20 — — WO disclosed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 — — US disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 — — WO disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 — — US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 — — 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 (5 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-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 KIF11 2108/4885ALDH1A1 1515/4885HTT 1167/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 KIF11 4219/4885ALDH1A1 3393/4885HTT 3567/4885
US-20140024687-A1 Combinations of Vascular Disrupting Agents with Inhibitor of Apoptosis Proteins Antagonists BIRC5, API5, BIRC3 KIF11 3244/4885ALDH1A1 4668/4885HTT 3330/4885
US-10329626-B2 NOL3 is a predictor of patient outcome MORF4L1, NOS3, NOS1 KIF11 4190/4885ALDH1A1 2209/4885HTT 4772/4885
US-20140004101-A1 SMAC PEPTIDOMETICS USEFUL AS IAP INHIBITORS BIRC5, BIRC2, BIRC7 KIF11 3970/4885ALDH1A1 4228/4885HTT 2110/4885

“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.