SCHEMBL110394

SCHEMBL110394

NCc1ccccc1-n1cccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
MPO P05164 3/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
KMT2A Q03164 1/20 0.44
TDO2 P48775 1/20 0.42
NPBWR1 P48145 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ADORA2A P29274 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL27632456 0.86 NPC1 (0.46) NPC1MAPK1MPOLMNAKDM4E
SCHEMBL30332519 0.86 NPC1 (0.49) NPC1MAPK1MPOLMNAKDM4E
SCHEMBL20773519 0.86 NPC1 (0.49) NPC1MAPK1MPOLMNAKDM4E
Trifluoroacetic Acid SCHEMBL5855686 0.85 ADORA2A (0.45) NPC1MAPK1MPOLMNAKDM4E
SCHEMBL12481069 0.83 MAPK1 (0.53) NPC1MAPK1MPOLMNAKDM4E
SCHEMBL20695961 0.81 MAPK1 (0.51) NPC1MAPK1MPOLMNAKDM4E
SCHEMBL21516008 0.81 MAPK1 (0.51) NPC1MAPK1MPOLMNAKDM4E
SCHEMBL18584960 0.81 NPC1 (0.56) NPC1MAPK1MPOLMNAKDM4E
SCHEMBL30332218 0.81 TDO2 (0.46) NPC1MAPK1MPOLMNAKDM4E
SCHEMBL4341886 0.80 MAPK1 (0.67) NPC1MAPK1MPOLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447557-B A kind of preparation method of N arylpyrazoles compound and N aryl imidazoles 苏州大学 2017-08-25 CN claimed
US-20240352016-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR TAIZHOU EOC PHARMA CO., LTD (CN) 2024-10-24 US disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
EP-4380930-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2024-06-12 EP disclosed
WO-2023016477-A9 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2024-04-25 WO disclosed
CN-117916235-A Cyclin dependent kinase inhibitors 泰州亿腾景昂药业股份有限公司 2024-04-19 CN disclosed
CN-117624140-A CXCR4 antagonists, methods of making and uses thereof 杭州师范大学 2024-03-01 CN disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
CN-1980892-A Dpp-IV inhibitors SANTHERA PHARMACEUTICALS CH (CH) 2007-06-13 CN disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 NPC1 1864/4885MAPK1 2366/4885MPO 3277/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 NPC1 1185/4885MAPK1 3240/4885MPO 453/4885
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 CDK7, CDK8, CDKL4 NPC1 4693/4885MAPK1 466/4885MPO 4330/4885
US-20240352016-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR CDK2, CCNK, CDK1 NPC1 4242/4885MAPK1 304/4885MPO 4639/4885

“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.