SCHEMBL22140337

SCHEMBL22140337

CC(C)(O)c1ncc(Br)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
DYRK1A Q13627 2/20 0.33
IDO1 P14902 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33

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
SCHEMBL30788043 1.00 KMT2A (0.41) KMT2AHTTDYRK1AIDO1CHEK1
SCHEMBL5254693 0.80 S1PR1 (0.36) KMT2AHTTDYRK1AIDO1NPC1
SCHEMBL22140338 0.80 MAPT (0.41) AURKAMAP4K4AURKBUHRF1MAPT
SCHEMBL24852675 0.78 NOS3 (0.42) PLAUUHRF1ALDH1A1KDM4ELMNA
SCHEMBL30788039 0.78 NOS3 (0.42) PLAUUHRF1ALDH1A1KDM4ELMNA
SCHEMBL2147947 0.78 HTT (0.33) KMT2AHTTNPC1PLAUALDH1A1
SCHEMBL30788049 0.77 PGR (0.36) HTTIDO1PLAUALDH1A1HSD17B10
SCHEMBL24852699 0.77 PGR (0.36) HTTIDO1PLAUALDH1A1HSD17B10
SCHEMBL25206015 0.77 PLAU (0.43) KMT2AHTTPLAUALDH1A1KDM4E
SCHEMBL29818360 0.77 PLAU (0.43) KMT2AHTTPLAUALDH1A1KDM4E

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-117580569-A Heterocyclic aldehyde capture compounds and uses thereof 奥尔德拉医疗公司 2024-02-20 CN disclosed
US-20230365503-A1 CRYSTAL FORM OF PYRIDINYLPHENYL COMPOUND AND PREPARATION METHOD THEREFOR ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365503-A1 CRYSTAL FORM OF PYRIDINYLPHENYL COMPOUND AND PREPARATION METHOD THEREFOR ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-11-16 US disclosed
US-11753377-B2 Crystal form of 2-methyl-2-propanol and amino-substituted aryl compound ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-09-12 US disclosed
US-11753377-B2 Crystal form of 2-methyl-2-propanol and amino-substituted aryl compound ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-09-12 US disclosed
EP-4219451-A1 CRYSTAL FORM OF PYRIDINYLPHENYL COMPOUND AND PREPARATION METHOD THEREFOR Zhuhai United Laboratories Co., Ltd. (CN) 2023-08-02 EP disclosed
US-20230174489-A1 CRYSTAL FORM OF 2-METHYL-2-PROPANOL AND AMINO-SUBSTITUTED ARYL COMPOUND ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-06-08 US disclosed
US-20230174489-A1 CRYSTAL FORM OF 2-METHYL-2-PROPANOL AND AMINO-SUBSTITUTED ARYL COMPOUND ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-06-08 US disclosed
WO-2023278816-A1 HETEROCYCLIC ALDEHYDE TRAPPING COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
US-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2022-04-28 US disclosed
WO-2021254456-A1 CRYSTAL FORM OF 2-METHYL-2-PROPANOL AND AMINO-SUBSTITUTED ARYL COMPOUND 南京明德新药研发有限公司 2021-12-23 WO disclosed
EP-3901138-A1 COMPOUND FOR USE IN RETINAL DISEASES Medshine Discovery Inc. (CN) 2021-10-27 EP disclosed
WO-2020125659-A1 COMPOUND FOR USE IN RETINAL DISEASES 南京明德新药研发有限公司 2020-06-25 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 (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-20230174489-A1 CRYSTAL FORM OF 2-METHYL-2-PROPANOL AND AMINO-SUBSTITUTED ARYL COMPOUND CYP51A1, CYP4A11, CYP11B2 KMT2A 1353/4885HTT 1386/4885DYRK1A 2584/4885
US-20230365503-A1 CRYSTAL FORM OF PYRIDINYLPHENYL COMPOUND AND PREPARATION METHOD THEREFOR FARS2, CYP4F11, CYP4F8 KMT2A 4316/4885HTT 1276/4885DYRK1A 2293/4885
US-11753377-B2 Crystal form of 2-methyl-2-propanol and amino-substituted aryl compound CYP51A1, CYP4A11, CYP11B2 KMT2A 1353/4885HTT 1386/4885DYRK1A 2584/4885
US-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ALDH1A2, ALDH1A3, NR2E3 KMT2A 3459/4885HTT 1418/4885DYRK1A 4783/4885

“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.