SCHEMBL5314423

SCHEMBL5314423

Cc1ccc(-c2ccnc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 1/20 0.55
ACVR1 Q04771 4/20 0.52
GRM4 Q14833 5/20 0.49
HTR2B P41595 1/20 0.49
MTNR1A P48039 1/20 0.49
KCNH2 Q12809 1/20 0.49
COMT P21964 1/20 0.49
PIK3CA P42336 1/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.47
AURKA O14965 1/20 0.47
TTK P33981 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
TGFBR1 P36897 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL29492647 1.00 NPC1 (0.55) NPC1RAB9AMAPTACVR1GRM4
SCHEMBL23555407 0.98 NPC1 (0.54) NPC1RAB9AMAPTACVR1GRM4
SCHEMBL12386951 0.87 CA12 (0.59) NPC1RAB9AMAPTACVR1COMT
SCHEMBL27430955 0.86 ACVR1 (0.52) NPC1RAB9AMAPTACVR1GRM4
SCHEMBL23555710 0.86 CA12 (0.61) NPC1RAB9AMAPTACVR1COMT
SCHEMBL12074333 0.85 PIK3CA (0.65) NPC1RAB9AACVR1GRM4HTR2B
SCHEMBL35327 0.84 TGFBR1 (0.60) NPC1RAB9AMAPTACVR1GRM4
SCHEMBL30439957 0.84 TGFBR1 (0.60) NPC1RAB9AMAPTACVR1GRM4
SCHEMBL28647092 0.84 ACVR1 (0.51) NPC1RAB9AMAPTACVR1GRM4
SCHEMBL28018853 0.82 NPC1 (0.47) NPC1RAB9AMAPTACVR1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116466-B Catalytic synthesis method of polysubstituted quinoline derivative 浙江万里学院 2023-02-10 CN claimed
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes SONY CORPORATION (JP) 2023-09-26 US disclosed
CN-114250479-B Novel method for synthesizing alkyl-substituted nitrogen-containing heterocycle by cerium salt catalysis 北京工业大学 2023-09-01 CN disclosed
CN-111116466-B Catalytic synthesis method of polysubstituted quinoline derivative 浙江万里学院 2023-02-10 CN disclosed
CN-114250479-A Novel method for synthesizing alkyl-substituted nitrogen-containing heterocycle under catalysis of cerium salt 北京工业大学 2022-03-29 CN disclosed
CN-113527198-A Method for preparing 4-arylquinoline from 2-aminodiaryl methanol 长沙资材科技有限公司 2021-10-22 CN disclosed
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES SONY CORPORATION (JP) 2021-06-24 US disclosed
WO-2021082714-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-05-06 WO disclosed
CN-111116466-A Catalytic synthesis method of polysubstituted quinoline derivative 浙江万里学院 2020-05-08 CN disclosed
US-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
US-8735577-B2 1,3,5-triazine derivative, process for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORPORATION (JP) 2014-05-27 US disclosed
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT TOSOH CORPORATION (JP) 2011-08-04 US disclosed
WO-2007074491-A1 HETEROTRICYCLIC AMIDE DERIVATIVES AS NEUROKININ-l (NKl) RECEPTOR LIGANDS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2007-07-05 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-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 NPC1 2651/4885RAB9A 2715/4885MAPT 1613/4885
US-20110190494-A1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AS CONSTITUENT COMPONENT ASH2L, SETDB1, KAT5 NPC1 4344/4885RAB9A 4644/4885MAPT 2757/4885
US-11770974-B2 P active materials for organic photoelectric conversion layers in organic photodiodes JUP, L1CAM, EPCAM NPC1 3239/4885RAB9A 2248/4885MAPT 1030/4885
US-20210193935-A1 P ACTIVE MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS IN ORGANIC PHOTODIODES JUP, L1CAM, EPCAM NPC1 3239/4885RAB9A 2248/4885MAPT 1030/4885

“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.