SCHEMBL8102367

SCHEMBL8102367

NC(=O)c1ccccc1-c1ccccc1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.59
CSNK1A1 P48729 1/20 0.50
TYRO3 Q06418 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NUDT1 P36639 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
METAP2 P50579 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK8 P45983 1/20 0.42
GAA P10253 1/20 0.40
CTNNB1 P35222 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL30514077 0.87 BCAT2 (0.74) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL210767 0.87 BCAT2 (0.74) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL1113049 0.85 BCAT2 (0.47) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL31012518 0.84 BCAT2 (0.71) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
Hydrochloric Acid SCHEMBL16463881 0.84 BCAT2 (0.71) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL1110181 0.84 BCAT2 (0.71) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL8813905 0.82 ALDH1A1 (0.56) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL967996 0.82 ALDH1A1 (0.56) BCAT2CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL28808102 0.81 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL17475571 0.80 ALDH1A1 (0.54) BCAT2CSNK1A1TYRO3DYRK1BKDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208960-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. 2024-06-27 US disclosed
US-11753404-B2 Aminothiazole compounds as c-Kit inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2023-09-12 US disclosed
EP-4121082-A1 HELICAL STAPLED PEPTIDES AND USES THEREOF Fog Pharmaceuticals, Inc. (US) 2023-01-25 EP disclosed
US-20220033392-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. 2022-02-03 US disclosed
WO-2021188659-A1 HELICAL STAPLED PEPTIDES AND USES THEREOF FOG PHARMACEUTICALS, INC. (US) 2021-09-23 WO disclosed
US-11001580-B2 Aminothiazole compounds as c-Kit inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2021-05-11 US disclosed
US-20190352298-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. 2019-11-21 US disclosed
EP-3555090-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS ARIAD Pharmaceuticals, Inc. (US) 2019-10-23 EP disclosed
WO-2018112136-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-21 WO disclosed
CN-103980212-A Method for synthesizing benzodiazepine heterocyclic derivative by one-pot method NANJING UNIVERSITY OF TECHNOLOGY 2014-08-13 CN disclosed
US-6160194-A Soil decontamination using ferric chelates and peroxide THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 2000-12-12 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 (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-20220033392-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS KIT, TNNI3K, CKS1B BCAT2 305/4885CSNK1A1 27/4885TYRO3 284/4885
US-11753404-B2 Aminothiazole compounds as c-Kit inhibitors KIT, TNNI3K, CKS1B BCAT2 305/4885CSNK1A1 27/4885TYRO3 284/4885
US-11001580-B2 Aminothiazole compounds as c-Kit inhibitors KIT, TNNI3K, CKS1B BCAT2 270/4885CSNK1A1 23/4885TYRO3 271/4885
US-20190352298-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS KIT, TNNI3K, CKS1B BCAT2 270/4885CSNK1A1 23/4885TYRO3 271/4885
US-20240208960-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS KIT, TNNI3K, CKS1B BCAT2 305/4885CSNK1A1 27/4885TYRO3 284/4885

“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.