SCHEMBL720660

SCHEMBL720660

CON(C(=O)c1ccccc1)c1ccc(C)c(Cc2nc(-c3cccnc3)cs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
ALOX15 P16050 1/20 0.44
EGFR P00533 2/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
GRM1 Q13255 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.39
CYP19A1 P11511 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL5001897 0.77 RAB9A (0.47) NPC1RAB9AGRM1KDM4EMAPT
SCHEMBL5001904 0.75 RAB9A (0.48) NPC1RAB9AKDM4EMAPTL3MBTL1
SCHEMBL720659 0.74 ABL1 (0.59) NPC1RAB9AEGFRPDGFRBPDGFRA
SCHEMBL4902752 0.73 ALDH1A1 (0.54) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL716307 0.73 KDM4E (0.52) NPC1RAB9AEGFRPDGFRBPDGFRA
SCHEMBL6269851 0.71 CYP19A1 (0.49) NPC1RAB9AKDM4EMAPTTDP1
SCHEMBL5503213 0.71 ABL1 (0.51) EGFRPDGFRBPDGFRAPRKCAKDM4E
SCHEMBL717582 0.71 ABL1 (0.48) NPC1RAB9AEGFRPDGFRBPDGFRA
SCHEMBL718546 0.70 ABL1 (0.49) EGFRPDGFRBPDGFRAPRKCAKDM4E
SCHEMBL5159101 0.70 VCP (0.39) NPC1RAB9AEGFRPDGFRBPDGFRA

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
US-8993573-B2 2-(3-aminoaryl) amino-4-aryl-thiazoles and their use as c-kit inhibitors AB SCIENCE (FR) 2015-03-31 US disclosed
US-8835435-B2 2-(3-aminoaryl) amino-4-aryl-thiazoles and their use as c-kit inhibitors AB SCIENCE (FR) 2014-09-16 US disclosed
US-20140088108-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITIORS AB SCIENCE (FR) 2014-03-27 US disclosed
US-8450302-B2 2-(3-aminoaryl) amino-4-aryl-thiazoles and their use as c-kit inhibitors AB SCIENCE (FR) 2013-05-28 US disclosed
US-20120053186-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2012-03-01 US disclosed
US-20110201620-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS AB SCIENCE (FR) 2011-08-18 US disclosed
US-20080255141-A1 Modulators of signal transduction mediated by certain native and/or mutant tyrosine kinases; antiproliferative, anticarcinogenic, antiallergen, and antiinflammatory agents; metabolic and neurodegenerative disorders AB SCIENCE 2008-10-16 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-20120053186-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS KIT, CHUK, MAP3K2 NPC1 2100/4885RAB9A 1947/4885ALOX15 3904/4885
US-20110201620-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITORS KIT, ABL1, MUSK NPC1 4626/4885RAB9A 599/4885ALOX15 3941/4885
US-20140088108-A1 2-(3-AMINOARYL) AMINO-4-ARYL-THIAZOLES AND THEIR USE AS C-KIT INHIBITIORS KIT, CHUK, CKS1B NPC1 2356/4885RAB9A 1773/4885ALOX15 3957/4885
US-20080255141-A1 Modulators of signal transduction mediated by certain native and/or mutant tyrosine kinases; antiproliferative, anticarcinogenic, antiallergen, and antiinflammatory agents; metabolic and neurodegenerative disorders KIT, MAP3K1, MAP3K6 NPC1 3150/4885RAB9A 3051/4885ALOX15 1810/4885

“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.