SCHEMBL17683115

SCHEMBL17683115

CS(=O)(=O)c1nccc(-n2ncc3cc(C4CC4)ccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
MAPK8 P45983 5/20 0.36
MAPK9 P45984 5/20 0.36
MAPK10 P53779 5/20 0.36
CCNT1 O60563 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CDK9 P50750 2/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
GRM7 Q14831 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KDR P35968 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPK1 P28482 3/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32
MAT2A P31153 1/20 0.32

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
SCHEMBL5090337 0.82 CYP11B1 (0.40) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL17683111 0.80 LRRK2 (0.42) LRRK2MAPK8MAPK9MAPK10CCNT1
SCHEMBL17683145 0.79 CYP11B1 (0.43) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL30459760 0.79 CYP11B1 (0.43) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL3823223 0.78 CDK1 (0.53) LRRK2MAPK8MAPK9MAPK10CCNT1
SCHEMBL17683288 0.77 NR3C1 (0.42) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL30459679 0.77 NR3C1 (0.42) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL5102689 0.75 IRAK4 (0.44) LRRK2CCNT1CDK1CCNB1CDK9
SCHEMBL17683371 0.69 CYP11B2 (0.42) MAPK8MAPK9MAPK10CDK1CCNB1
SCHEMBL5096302 0.69 IRAK4 (0.46) CCNT1CDK1CCNB1CDK9CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LRRK2 266/4885MAPK8 61/4885MAPK9 27/4885
US-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 LRRK2 331/4885MAPK8 70/4885MAPK9 33/4885
US-10428081-B2 EGFR inhibitor, preparation method and use thereof EGFR, ERBB2, ERBB4 LRRK2 331/4885MAPK8 70/4885MAPK9 33/4885
US-10259820-B2 EGFR inhibitor, preparation method and use thereof EGFR, ERBB2, ERBB4 LRRK2 266/4885MAPK8 61/4885MAPK9 27/4885

“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.