SCHEMBL17683301

SCHEMBL17683301

COc1ccc2c(C)nn(-c3ccnc(S(C)(=O)=O)n3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.45
MAOA P21397 3/20 0.45
ACHE P22303 3/20 0.40
BCHE P06276 1/20 0.40
HASPIN Q8TF76 4/20 0.39
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DYRK3 O43781 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNB2 O95067 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CDK1 P06493 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CCNB1 P14635 1/20 0.38
HPGD P15428 1/20 0.38
ADRA2B P18089 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
SCHEMBL17683314 0.86 SMN1; SMN2 (0.36) DYRK1AMAOAACHEBCHEALDH1A1
SCHEMBL17683304 0.79 DYRK1A (0.44) DYRK1AMAOAACHEBCHEHASPIN
SCHEMBL17683145 0.78 CYP11B1 (0.43) ACHEBCHECCNT1CDK1CCNB1
SCHEMBL30459760 0.78 CYP11B1 (0.43) ACHEBCHECCNT1CDK1CCNB1
SCHEMBL3820763 0.76 CYP11B1 (0.39) CCNT1ALDH1A1CYP1A2CDK1CCNB1
SCHEMBL21642754 0.70 MAPK10 (0.61)
SCHEMBL21642785 0.70 MAPK10 (0.47) DYRK1ACYP3A4CLK1CLK2CLK4
SCHEMBL19540757 0.70 PLK1 (0.37) DYRK1AMAOAHASPIN
SCHEMBL21642756 0.69 MAPK10 (0.45) HTR2AKDM4EALDH1A1HPGDHTR7
SCHEMBL21676832 0.69 MAPK10 (0.47) KDM4EALDH1A1CYP1A2HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205650-B1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2021-08-04 EP disclosed
US-10428081-B2 EGFR inhibitor, preparation method and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-10-01 US disclosed
US-10259820-B2 EGFR inhibitor, preparation method and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-04-16 US disclosed
US-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-04-04 US disclosed
US-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2017-11-02 US disclosed
US-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2017-11-02 US disclosed
EP-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 EP disclosed
WO-2016054987-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 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 (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-20170313714-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 DYRK1A 1620/4885MAOA 2587/4885ACHE 4864/4885
US-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 DYRK1A 472/4885MAOA 2085/4885ACHE 4661/4885
US-10428081-B2 EGFR inhibitor, preparation method and use thereof EGFR, ERBB2, ERBB4 DYRK1A 472/4885MAOA 2085/4885ACHE 4661/4885
US-10259820-B2 EGFR inhibitor, preparation method and use thereof EGFR, ERBB2, ERBB4 DYRK1A 1620/4885MAOA 2587/4885ACHE 4864/4885

“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.