SCHEMBL17673161

SCHEMBL17673161

Cn1nc(C(N)=O)c2cc(Br)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.44
MAP3K14 Q99558 1/20 0.43
MAPK8 P45983 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
PDGFRA P16234 1/20 0.42
CDK5 Q00535 1/20 0.42
TYRO3 Q06418 1/20 0.42
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
SIK1 P57059 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
SIK3 Q9Y2K2 1/20 0.37

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
SCHEMBL1965759 0.86 ELANE (0.48) ELANEMAPK8PDGFRACDK5TYRO3
SCHEMBL19538824 0.83 ELANE (0.47) ELANEBRD4CREBBPKDM4E
SCHEMBL17419175 0.82 ELANE (0.64) ELANEMAPK8KDM4E
SCHEMBL31646748 0.82 ELANE (0.64) ELANEMAPK8KDM4E
SCHEMBL17680857 0.81 BRD4 (0.43) ELANEMAP3K14BRD4CREBBPKDM4E
SCHEMBL16252830 0.81 SCN9A (0.51) ELANEMAP3K14BRD4CREBBPKDM4E
SCHEMBL30896812 0.80 HTR3A (0.41) ELANEMAPK8PDGFRACDK5TYRO3
SCHEMBL31482824 0.80 HTR3A (0.41) ELANEMAPK8PDGFRACDK5TYRO3
SCHEMBL19531647 0.79 KDM4E (0.43) ELANEMAP3K14BRD4CREBBPKDM4E
SCHEMBL17680568 0.79 BRD4 (0.41) ELANEMAP3K14BRD4CREBBPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
EP-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 ELANE 53/4885MAP3K14 1000/4885MAPK8 1630/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 ELANE 53/4885MAP3K14 1000/4885MAPK8 1630/4885

“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.