SCHEMBL4098221

SCHEMBL4098221

COC(=O)c1cc2cc[nH]c2cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.49
GAA P10253 4/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
MAOB P27338 1/20 0.48
ABL1 P00519 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CFTR P13569 3/20 0.45
PTPRC P08575 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPRB P23467 1/20 0.44
PTPRE P23469 1/20 0.44

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
SCHEMBL22507908 0.94 KDM4E (0.50) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL6421816 0.87 MAOB (0.52) KDM4EALDH1A1HSD17B10HPGDMAOB
SCHEMBL397748 0.84 JAK2 (0.50) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL1305058 0.83 MAOB (0.59) GAAMAPTMAOBTSHRPTPRC
SCHEMBL4493185 0.83 MAOB (0.49) KDM4EALDH1A1HSD17B10HPGDMAOB
SCHEMBL15482829 0.82 PTPRC (0.44) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL6421819 0.81 PTPRC (0.55) KDM4EALDH1A1HSD17B10HPGDMAOB
SCHEMBL148935 0.81 CHEK1 (0.50) MAOBABL1PTPRCPTPN2PTPN1
SCHEMBL21933183 0.81 GPR84 (0.53) MAOBPTPRCPTPN2PTPN1PTPRB
SCHEMBL31338588 0.81 CHEK1 (0.50) MAOBABL1PTPRCPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440063-A QC and BACE1 multi-targeting inhibitor and preparation method and application thereof 深圳大学 2024-08-06 CN disclosed
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
EP-4161651-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES Dana-Farber Cancer Institute, Inc. (US) 2023-04-12 EP disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 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 (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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KDM4E 886/4885ALDH1A1 1978/4885GAA 174/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C KDM4E 886/4885ALDH1A1 1978/4885GAA 174/4885
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES HCK, BTK, LYN KDM4E 2333/4885ALDH1A1 4624/4885GAA 1477/4885

“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.