Sugi Predict

Sugi Predict / Compounds / SCHEMBL545622

SCHEMBL545622

SCHEMBL545622

CC(C)(O)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AR P10275 1/20 0.41
▸ NR2E1 Q9Y466 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ IDO1 P14902 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ XPO1 O14980 1/20 0.34
▸ P2RX1 P51575 1/20 0.33
▸ PTPN5 P54829 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
SCHEMBL23113333 0.89 ALDH1A1 (0.36) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL7216715 0.89 CES2 (0.48) ARCES2MEN1KMT2AIDO1
SCHEMBL130383 0.83 TSHR (0.56) TSHRMAPK1NR2E1CES2IDO1
SCHEMBL7189481 0.82 TSHR (0.46) TSHRMAPK1NR2E1CES2IDO1
SCHEMBL12024580 0.82 TSHR (0.46) TSHRMAPK1NR2E1CES2IDO1
SCHEMBL545803 0.82 TSHR (0.46) TSHRMAPK1NR2E1CES2IDO1
SCHEMBL23113676 0.82 TSHR (0.46) TSHRMAPK1NR2E1CES2IDO1
SCHEMBL23113536 0.82 GABRA1 (0.48) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL14200010 0.82 MAPK1 (0.46) TSHRMAPK1NR2E1CES2MEN1
Iodide SCHEMBL31550893 0.81 TSHR (0.54) TSHRMAPK1NR2E1CES2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 — — US disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 — — EP disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 — — CN disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
EP-2368889-A1 Inhibitors of tyrosine kinases Novartis AG (CH) 2011-09-28 — — EP disclosed
US-20110218187-A1 INHIBITORS OF TYROSINE KINASES BREITENSTEIN WERNER 2011-09-08 — — US disclosed
EP-2357182-A1 Inhibitors of tyrosine kinases Novartis AG (CH) 2011-08-17 — — EP disclosed
US-7956053-B2 Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2011-06-07 — — US disclosed
EP-1532138-B1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2008-11-19 — — EP disclosed
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES BREITENSTEIN WERNER 2008-08-07 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
US-20070093506-A1 Inhibitors of tyrosine kinases BREITENSTEIN WERNER 2007-04-26 — — US disclosed
US-7169791-B2 Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2007-01-30 — — US disclosed
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) NOVARTIS AG (CH) 2006-07-27 — — US disclosed
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 — — EP disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 — — 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 (6 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-20070093506-A1 Inhibitors of tyrosine kinases ABL1, BTK, FLT3 TSHR 1204/4885MAPK1 104/4885AR 2651/4885
US-20110218187-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 TSHR 1204/4885MAPK1 104/4885AR 2651/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 TSHR 3310/4885MAPK1 89/4885AR 3075/4885
US-20080188451-A1 INHIBITORS OF TYROSINE KINASES ABL1, BTK, FLT3 TSHR 1204/4885MAPK1 104/4885AR 2651/4885
US-20060167015-A1 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol1yl)-3-(trifluoromethyl)phenyl]benzamide or an N-oxide or salts; anticarcinogenic agent (leukaemia) ABL1, CDK2, CDKN1A TSHR 2444/4885MAPK1 58/4885AR 1889/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 TSHR 4347/4885MAPK1 158/4885AR 3021/4885

“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.