SCHEMBL3887904

SCHEMBL3887904

CN(C)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
LMNA P02545 3/20 0.58
ALOX15 P16050 2/20 0.58
TP53 P04637 1/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
APP P05067 2/20 0.54
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 3/20 0.49
INSR P06213 2/20 0.49
POLB P06746 2/20 0.49

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
Hydrochloric Acid SCHEMBL28519023 0.98 RAB9A (0.57) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL13763546 0.84 NPC1 (0.59) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL10603259 0.84 RAB9A (0.55) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL30442434 0.84 RAB9A (0.55) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL21233552 0.82 TSHR (0.58) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL25474647 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL9037879 0.81 NPC1 (0.53) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL25514451 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL11676698 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2LMNAALOX15
SCHEMBL9474268 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694453-B Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound 中国科学院长春应用化学研究所 2022-09-06 CN claimed
CN-112694453-A Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound 中国科学院长春应用化学研究所 2021-04-23 CN claimed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 CN claimed
US-20240336617-A1 Substituted Bimane Compounds and Methods of Use Thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2024-10-10 US disclosed
WO-2024119866-A1 BENZOTHIAZOLE PYRIMIDINEAMINE DYRK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2024-06-13 WO disclosed
CN-118146213-A Benzothiazole pyrimidine amine DYRK2 inhibitor and preparation method and application thereof 江苏天士力帝益药业有限公司 2024-06-07 CN disclosed
CN-118005624-A Pyrimidine benzo five-membered ring CDK inhibitor and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed
EP-4282864-A1 CDK6/DYRK2 DUAL-TARGET INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Tasly Diyi Pharmaceutical Co., Ltd. (CN) 2023-11-29 EP disclosed
WO-2023222680-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) LIGANDS Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2023-11-23 WO disclosed
US-20230303553-A1 CDK6/DYRK2 DUAL-TARGET INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU TASLY DIYI PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
WO-2018060689-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US disclosed
EP-0003141-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-ARYLENOTHIAZOLE COMPOUNDS AND THEIR RING N-SUBSTITUTED DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1982-07-14 EP disclosed
US-4252963-A CYCLIZATION OF PHENYLTHIOUREAS WITH THIONYL CHLORIDE HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
EP-0003141-A2 Process for the preparation of 2-amino-arylenothiazole compounds and their ring N-substituted derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-25 EP disclosed
US-3994724-A SUBSTITUTED ANILINE PHOTOCONDUCTOR SCOTT PAPER COMPANY (US) 1976-11-30 US 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-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 RAB9A 2264/4885NPC1 184/4885SMN1; SMN2 2615/4885
US-20240336617-A1 Substituted Bimane Compounds and Methods of Use Thereof SNCA, PARK7, APP RAB9A 1305/4885NPC1 3588/4885SMN1; SMN2 36/4885
US-20230303553-A1 CDK6/DYRK2 DUAL-TARGET INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CDK6, DYRK2, CDK16 RAB9A 2905/4885NPC1 4073/4885SMN1; SMN2 1656/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 RAB9A 3743/4885NPC1 84/4885SMN1; SMN2 4713/4885

“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.