SCHEMBL1976152

SCHEMBL1976152

O=C(O)N(Cc1ccccc1)C1CCNCC1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.52
HTR2A P28223 8/20 0.51
DCUN1D1 Q96GG9 1/20 0.44
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
KCNH2 Q12809 1/20 0.43
SLC6A3 Q01959 2/20 0.43
AGER Q15109 2/20 0.41
MTNR1A P48039 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1976155 1.00 CTSD (0.52) CTSDHTR2ADCUN1D1SLC6A2SLC6A4
SCHEMBL15407540 1.00 CTSD (0.52) CTSDHTR2ADCUN1D1SLC6A2SLC6A4
SCHEMBL1976153 1.00 CTSD (0.52) CTSDHTR2ADCUN1D1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3357777 0.99 CTSD (0.51) CTSDHTR2ADCUN1D1SLC6A2SLC6A4
SCHEMBL1467752 0.89 CTSD (0.56) CTSDHTR2ADCUN1D1SLC6A2SLC6A4
SCHEMBL1467750 0.89 CTSD (0.56) CTSDHTR2ADCUN1D1SLC6A2SLC6A4
SCHEMBL1467754 0.89 CTSD (0.56) CTSDHTR2ADCUN1D1SLC6A2SLC6A4
SCHEMBL4440050 0.88 HTR2A (0.67) CTSDHTR2ASLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3358867 0.87 HTR2A (0.66) CTSDHTR2ASLC6A2SLC6A4KCNH2
SCHEMBL2776529 0.85 CTSD (0.55) CTSDDCUN1D1SLC6A2SLC6A4KCNH2

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
US-8895550-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-25 US disclosed
US-20140045835-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-02-13 US disclosed
US-8557809-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-10-15 US disclosed
US-20110144100-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
WO-2010022081-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-25 WO disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 CTSD 1716/4885HTR2A 1487/4885DCUN1D1 2595/4885
US-20140045835-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 CTSD 4315/4885HTR2A 3703/4885DCUN1D1 2056/4885
US-20110144100-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM3, PIM2 CTSD 4456/4885HTR2A 2858/4885DCUN1D1 2735/4885
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS CTSD 1860/4885HTR2A 2567/4885DCUN1D1 3137/4885

“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.