SCHEMBL2799754

SCHEMBL2799754

Clc1cnc2cccc(Br)c2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GRM2 Q14416 2/20 0.36
EGFR P00533 1/20 0.36
BACE1 P56817 2/20 0.36
NQO2 P16083 3/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
ELANE P08246 1/20 0.35
BIRC5 O15392 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
NOS1 P29475 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL22980438 0.85 PDPK1 (0.38) PDPK1ALDH1A1GRM2BACE1NQO2
SCHEMBL9078330 0.80 ADORA3 (0.47) ALDH1A1NQO2NPC1RAB9ASMN1; SMN2
SCHEMBL29590951 0.80 ADORA3 (0.47) ALDH1A1NQO2NPC1RAB9ASMN1; SMN2
SCHEMBL9956530 0.77 NPC1 (0.42) ALDH1A1GRM2NPC1RAB9ASMN1; SMN2
SCHEMBL29467517 0.77 ALDH1A1 (0.37) ALDH1A1EGFR
SCHEMBL21631800 0.77 ALDH1A1 (0.37) ALDH1A1EGFR
SCHEMBL1148207 0.77 ALDH1A1 (0.50) ALDH1A1NQO2NPC1RAB9AADORA3
SCHEMBL15228809 0.77 EGFR (0.36) PDPK1EGFRBACE1NQO2ENPP3
SCHEMBL21638319 0.77 NQO2 (0.43) ALDH1A1BACE1NQO2BIRC5RAB9A
SCHEMBL14486329 0.75 NQO2 (0.36) ALDH1A1GRM2NQO2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121586713-A Quinoline derivatives and pharmaceutical compositions thereof for the treatment of diseases 百济神州(苏州)生物科技有限公司 2026-02-27 CN disclosed
US-20250304582-A1 Bicyclic Ureas As Kinase Inhibitors INCYTE CORPORATION 2025-10-02 US disclosed
WO-2025021217-A1 QUINOLINE DERIVATIVES AND PHARMARCEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASE BEIGENE SWITZERLAND GMBH (CH) 2025-01-30 WO disclosed
WO-2024149189-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-07-18 WO disclosed
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 US disclosed
EP-4225749-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2023-08-16 EP disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
US-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
CN-101678020-A Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2010-03-24 CN disclosed
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 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 (3 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-20250304582-A1 Bicyclic Ureas As Kinase Inhibitors JAK2, UCK2, ULK2 PDPK1 360/4885ALDH1A1 3820/4885GRM2 2873/4885
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 PDPK1 349/4885ALDH1A1 3217/4885GRM2 1162/4885
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL PDPK1 1179/4885ALDH1A1 860/4885GRM2 1549/4885

“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.