SCHEMBL1678602

SCHEMBL1678602

[CH2]N(C(C)CC)C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL4280998 0.87
SCHEMBL2976151 0.76
SCHEMBL2972548 0.73
SCHEMBL11799780 0.69 TSHR (0.38) TSHR
SCHEMBL63974 0.69 TSHR (0.38) TSHR
SCHEMBL4274879 0.69
SCHEMBL3071488 0.69
SCHEMBL2972552 0.69
SCHEMBL27996783 0.67
SCHEMBL11502080 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753329-B1 1,5-NAPHTHYRIDINE DERIVATIVES AS MELK INHIBITORS ONCOTHERAPY SCIENCE INC (JP) 2017-08-09 EP disclosed
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
US-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-11-19 US disclosed
US-9067937-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-06-30 US disclosed
US-9045465-B1 3-heterocyclyl-substituted benzoyl derivatives BASF SE (DE) 2015-06-02 US disclosed
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-01-01 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-7608564-B2 3-heterocyclyl-substituted benzoyl derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-10-27 US disclosed
US-20090093468-A1 Peptide Deformylase Inhibitors ARPIDA A/S (DK) 2009-04-09 US disclosed
EP-0944623-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1999031091-A1 HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-06-24 WO disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1998031681-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1998027090-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
CN-1147812-A Alkylation method of triazine derivative NISSAN CHEMICAL IND LTD (JP) 1997-04-16 CN disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
CN-1127506-A Method of alkylating triazine derivative NISSAN CHEMICAL IND LTD (JP) 1996-07-24 CN disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP 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-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 TSHR 3751/4885
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 TSHR 3751/4885
US-20090093468-A1 Peptide Deformylase Inhibitors PDF, PEPD, MRPL21 TSHR 1829/4885

“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.