SCHEMBL21231982

SCHEMBL21231982

COC(=O)c1cc2c(ccn2C)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.47
GAA P10253 5/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
ABL1 P00519 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CFTR P13569 3/20 0.44
PRKCI P41743 1/20 0.44
NR4A2 P43354 2/20 0.41
PIK3CB P42338 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 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
SCHEMBL21682095 0.83 KDM4E (0.49) KDM4EGAATSHRNR4A2TUBB4A
SCHEMBL21712228 0.82 TUBB4A (0.49) KDM4EALDH1A1GAAHPGDNR4A2
SCHEMBL14337885 0.79 TUBB4A (0.49) KDM4EALDH1A1GAAHPGDNR4A2
SCHEMBL28834853 0.79 DGAT1 (0.41) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL12492853 0.79 PRKAB1 (0.46) KDM4EGAAABL1PRKCINR4A2
SCHEMBL15133575 0.75 KDM4E (0.63) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL28834819 0.74 ALDH1A1 (0.44) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL4758833 0.74 KDM4E (0.73) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL30393412 0.74 ALDH1A1 (0.61) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL266131 0.74 ALDH1A1 (0.61) KDM4EALDH1A1GAAHSD17B10MAPT

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 5 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-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 KDM4E 1687/4885ALDH1A1 4856/4885GAA 1729/4885
US-11007198-B2 ErbB/BTK inhibitors ERBB2, BTK, ERBB3 KDM4E 1687/4885ALDH1A1 4856/4885GAA 1729/4885
US-20200316079-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 KDM4E 1687/4885ALDH1A1 4856/4885GAA 1729/4885
US-20230293535-A1 ERBB/BTK INHIBITORS ERBB2, BTK, ERBB3 KDM4E 1687/4885ALDH1A1 4856/4885GAA 1729/4885

“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.