SCHEMBL1941901

SCHEMBL1941901

CN([C@@H]1c2ccccc2C[C@H]1N)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.37
HTR2A P28223 6/20 0.35
HTR2C P28335 5/20 0.35
HTR2B P41595 5/20 0.35
HRH3 Q9Y5N1 5/20 0.35
SIGMAR1 Q99720 4/20 0.35
ANPEP P15144 1/20 0.34
PTK2 Q05397 1/20 0.34

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
SCHEMBL2444502 0.83 KCNE1 (0.37) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL13048150 0.83 HTR2A (0.37) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL30832970 0.83 KCNE1 (0.37) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL2447757 0.80 MEN1 (0.33) ANPEP
SCHEMBL19200494 0.80 HTR2A (0.44) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL17571679 0.80 HTR2A (0.44) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL28162183 0.80 HTR2A (0.44) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL17571730 0.80 HTR2A (0.44) KDM1AHTR2AHTR2CHTR2BHRH3
SCHEMBL2447761 0.77 KCNE1 (0.35) ANPEP
SCHEMBL5907844 0.76 SIGMAR1 (0.39) KDM1AHTR2AHTR2CHTR2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435411-B1 2,4-DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-8410126-B2 Pyrimidine inhibitors of PKTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
US-8410126-B2 Pyrimidine inhibitors of PKTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
US-8410126-B2 Pyrimidine inhibitors of PKTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 US disclosed
US-20110130401-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130401-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130401-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
WO-2010136559-A1 2, 4 -DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 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 (1 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-20110130401-A1 NEW CHEMICAL COMPOUNDS RB1, MKI67, CCNA1 KDM1A 1224/4885HTR2A 2158/4885HTR2C 2046/4885

“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.