SCHEMBL2390788

SCHEMBL2390788

S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2sc2ncccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 1.00
PDGFRA P16234 5/20 0.66
FLT3 P36888 2/20 0.65
PDGFRB P09619 8/20 0.59
KDR P35968 1/20 0.59
PIK3CA P42336 1/20 0.52
CLK1 P49759 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL15384140 0.88 KIT (0.79) KITPDGFRAFLT3PDGFRBKDR
SCHEMBL13771452 0.86 KIT (0.76) KITPDGFRAFLT3PDGFRBPIK3CA
Amuvatinib SCHEMBL29351463 0.80 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL29431554 0.80 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL93976 0.80 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL1686091 0.79 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
Amuvatinib SCHEMBL29883318 0.79 KIT (1.00) KITPDGFRAFLT3PDGFRBKDR
SCHEMBL1028115 0.78 KIT (0.66) KITPDGFRAFLT3PDGFRBKDR
SCHEMBL3868451 0.77 PIK3CA (0.67) KITKDRPIK3CACLK1ALDH1A1
SCHEMBL1028117 0.75 PDGFRB (0.61) KITPDGFRAFLT3PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999988-B2 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-04-07 US disclosed
US-8999988-B2 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-04-07 US disclosed
US-20130302303-A1 PROTEIN KINASE INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2013-11-14 US disclosed
US-20130302303-A1 PROTEIN KINASE INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2013-11-14 US disclosed
US-8552018-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-10-08 US disclosed
US-20110212929-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2011-09-01 US disclosed
US-20110212929-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2011-09-01 US disclosed
EP-1678166-B1 PROTEIN KINASE INHIBITORS UNIV ARIZONA (US) 2009-07-29 EP disclosed
US-20090143399-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-06-04 US disclosed
US-20090143399-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-06-04 US disclosed
US-20080051414-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-28 US disclosed
US-20080051414-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-28 US disclosed
US-7335662-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-26 US disclosed
US-7335662-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-26 US disclosed
US-7326712-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7326712-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7326713-B2 Substituted tricyclic compound as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7326713-B2 Substituted tricyclic compound as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7312226-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2007-12-25 US disclosed
US-7312226-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2007-12-25 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 (4 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-20130302303-A1 PROTEIN KINASE INHIBITORS CDK2, MAP3K1, MAP3K2 KIT 1558/4885PDGFRA 2162/4885FLT3 228/4885
US-20110212929-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 KIT 1558/4885PDGFRA 2162/4885FLT3 228/4885
US-20080051414-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 KIT 1558/4885PDGFRA 2162/4885FLT3 228/4885
US-20090143399-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 KIT 1558/4885PDGFRA 2162/4885FLT3 228/4885

“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.