SCHEMBL21231985

SCHEMBL21231985

COC(=O)c1cc2[nH]ccc2cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
NR3C1 P04150 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
ENPP2 Q13822 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL6421816 0.76 MAOB (0.52) MAPK14ALDH1A1KDM4EHPGDMAOB
SCHEMBL21231986 0.75 KDM4E (0.42) NR3C1ALDH1A1KDM4EHPGDCRHBP
SCHEMBL1612858 0.75 KMT2A (0.53) NR3C1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20874844 0.74 NR4A2 (0.48) MAOBMEN1KMT2ALMNAPIM1
SCHEMBL28755309 0.74 PTPRC (0.55) MAPK14ALDH1A1KDM4EHPGDMAOB
SCHEMBL6421819 0.74 PTPRC (0.55) MAPK14ALDH1A1KDM4EHPGDMAOB
SCHEMBL30910355 0.74 PLA2G2A (0.49) NR3C1ALDH1A1KDM4EHPGDCRHBP
SCHEMBL22014036 0.73 NR3C1 (0.48) NR3C1ALDH1A1KDM4EHPGDCRHBP
SCHEMBL31412778 0.72 MAOB (0.49) ALDH1A1KDM4EHPGDMAOBMEN1
SCHEMBL17536571 0.72 MAOB (0.49) ALDH1A1KDM4EHPGDMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 US disclosed
US-20230293535-A1 ERBB/BTK INHIBITORS DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-09-21 US disclosed
US-20210252005-A1 ERBB/BTK INHIBITORS DIZAL (SHANGHAI) PHARMACEUTICAL CO., LTD. (CN) 2021-08-19 US disclosed
US-11007198-B2 ErbB/BTK inhibitors DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-05-18 US disclosed
US-20200316079-A1 ERBB/BTK INHIBITORS DIZAL (SHANGHAI) PHARMACEUTICAL CO., LTD. (CN) 2020-10-08 US disclosed
WO-2019149164-A1 ERBB/BTK INHIBITORS DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2019-08-08 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-20210252005-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 MAPK14 446/4885NR3C1 880/4885ALDH1A1 4856/4885
US-11007198-B2 ErbB/BTK inhibitors ERBB2, BTK, ERBB3 MAPK14 446/4885NR3C1 880/4885ALDH1A1 4856/4885
US-20200316079-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 MAPK14 446/4885NR3C1 880/4885ALDH1A1 4856/4885
US-20230293535-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 MAPK14 446/4885NR3C1 880/4885ALDH1A1 4856/4885

“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.