SCHEMBL5140974

SCHEMBL5140974

Cc1c2ccnc(C(=O)NCCN(S(C)(=O)=O)S(C)(=O)=O)c2cc2c3cc(O)ccc3n(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
FGFR3 P22607 1/20 0.45
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
SPR P35270 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN1 Q9GZT9 3/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
HSD17B10 Q99714 3/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPT P10636 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL30986316 1.00 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL29435144 0.89 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL29371790 0.89 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL28056 0.89 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29613355 0.88 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5953239 0.88 KIT (0.45) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL8542307 0.86 KIT (0.48) KITPDGFRAFGFR3KDM4EALDH1A1
Dimethylamine SCHEMBL8548130 0.84 KIT (0.44) KITPDGFRAFGFR3KDM4EALDH1A1
Dimethylamine SCHEMBL8546032 0.83 KIT (0.44) KITPDGFRAFGFR3KDM4EALDH1A1
SCHEMBL8546035 0.83 KIT (0.43) KITPDGFRAFGFR3SPREGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840535-B2 Alkynyl(hetero)aromatic compound for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-12-12 US disclosed
US-11746110-B2 Alkynyl (hetero) aromatic ring compounds used for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-09-05 US disclosed
EP-3808746-B1 N-[3-[2-[8-[(1H-PYRAZOL-4-YL)AMINO]IMIDAZO[1,2-A]PYRAZIN-3-YL]ETHYNYL]PHENYL]-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SHENZHEN TARGETRX INC (CN) 2023-08-02 EP disclosed
US-20210284646-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-09-16 US disclosed
EP-3808746-A1 ALKYNYL (HETERO) AROMATIC RING COMPOUNDS USED FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-04-21 EP disclosed
EP-2755482-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER Merck Sharp & Dohme Corp. (US) 2014-07-23 EP disclosed
WO-2013039854-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO disclosed
EP-1945028-A2 SUBSTITUTED NICOTINAMIDE COMPOUNDS Merck & Co., Inc. (US) 2008-07-23 EP disclosed
WO-2007055942-A2 SUBSTITUTED NICOTINAMIDE COMPOUNDS MERCK & CO., INC. (US) 2007-05-18 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 (3 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-20210284646-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY ALK, BRAF, DSTYK KIT 857/4885PDGFRA 570/4885FGFR3 202/4885
US-11746110-B2 Alkynyl (hetero) aromatic ring compounds used for inhibiting protein kinase activity ALK, WEE1, WEE2 KIT 625/4885PDGFRA 667/4885FGFR3 259/4885
US-11840535-B2 Alkynyl(hetero)aromatic compound for inhibiting protein kinase activity ALK, BRAF, DSTYK KIT 857/4885PDGFRA 570/4885FGFR3 202/4885

“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.