SCHEMBL17823029

SCHEMBL17823029

Cn1ncc2ccc(-c3[nH]c(-c4cccnc4)nc3-c3n[nH]c(=O)n3C3CC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.49
CHEK1 O14757 1/20 0.37
KMT2A Q03164 1/20 0.37
BRAF P15056 1/20 0.36
CYP11B2 P19099 6/20 0.36
NPY5R Q15761 2/20 0.36
CYP11B1 P15538 5/20 0.36
ATM Q13315 2/20 0.35
ATR Q13535 2/20 0.35
SYK P43405 1/20 0.35
KCNH2 Q12809 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
Hydrochloric Acid SCHEMBL17822951 0.99 MAPK14 (0.48) MAPK14CHEK1KMT2ABRAFCYP11B2
SCHEMBL17822982 0.91 AKT1 (0.38) MAPK14
Hydrochloric Acid SCHEMBL17823114 0.91 AKT1 (0.37) MAPK14
SCHEMBL17823037 0.91 ALOX5 (0.39) MAPK14KMT2ABRAFALDH1A1TSHR
Hydrochloric Acid SCHEMBL17823021 0.90 ALOX5 (0.38) MAPK14KMT2ABRAFALDH1A1TSHR
SCHEMBL17822969 0.88 AKT1 (0.37) MAPK14
SCHEMBL17823089 0.88 AKT1 (0.37) MAPK14
SCHEMBL17823026 0.88 MAPK1 (0.39) MAPK14CLK2CLK3DYRK1A
SCHEMBL17823022 0.87 DRD2 (0.37) MAPK14
Hydrochloric Acid SCHEMBL17822961 0.87 MAPK1 (0.38) MAPK14SYKCLK2CLK3DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207474-B Substituted heterocycles as bromodomain inhibitors 恒翼生物医药科技(上海)有限公司 2021-05-07 CN claimed
EP-3230277-B1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-09-18 EP claimed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US claimed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US claimed
EP-3230277-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS Zenith Epigenetics Ltd. (CA) 2017-10-18 EP claimed
WO-2016092375-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-16 WO claimed
CN-107207474-B Substituted heterocycles as bromodomain inhibitors 恒翼生物医药科技(上海)有限公司 2021-05-07 CN disclosed
EP-3230277-B1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-09-18 EP disclosed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US disclosed
EP-3230277-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS Zenith Epigenetics Ltd. (CA) 2017-10-18 EP disclosed
WO-2016092375-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-16 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 (2 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-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MAPK14 2281/4885CHEK1 545/4885KMT2A 727/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 MAPK14 2281/4885CHEK1 545/4885KMT2A 727/4885

“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.