SCHEMBL1979937

SCHEMBL1979937

O=C(O)NC1CCN(Cc2ccccc2)CC1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.52
SIGMAR1 Q99720 4/20 0.52
DRD4 P21917 6/20 0.51
DRD2 P14416 5/20 0.51
SCN4A P35499 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SLC6A12 P48065 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
MCHR1 Q99705 1/20 0.49
POLB P06746 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 1/20 0.49
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48

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
SCHEMBL20484744 0.88 SIGMAR1 (0.52) JAK1SIGMAR1TMEM97
SCHEMBL3121018 0.85 UBE2M (0.60) SIGMAR1DRD4DRD2SCN4AL3MBTL1
SCHEMBL3118452 0.85 UBE2M (0.60) SIGMAR1DRD4DRD2SCN4AL3MBTL1
SCHEMBL2221234 0.85 UBE2M (0.60) SIGMAR1DRD4DRD2SCN4AL3MBTL1
SCHEMBL3121007 0.85 UBE2M (0.60) SIGMAR1DRD4DRD2SCN4AL3MBTL1
SCHEMBL2221237 0.85 UBE2M (0.60) SIGMAR1DRD4DRD2SCN4AL3MBTL1
SCHEMBL17185074 0.83 KMT2A (0.53) JAK1SIGMAR1DRD4DRD2L3MBTL1
SCHEMBL22233551 0.83 SIGMAR1 (0.51) SIGMAR1DRD4DRD2SCN4AL3MBTL1
SCHEMBL22233549 0.83 SIGMAR1 (0.51) SIGMAR1DRD4DRD2SCN4AL3MBTL1
SCHEMBL22233550 0.83 SIGMAR1 (0.51) SIGMAR1DRD4DRD2SCN4AL3MBTL1

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 3 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-20110144100-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 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 (2 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-20140045835-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 JAK1 77/4885SIGMAR1 2000/4885DRD4 2771/4885
US-20110144100-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM3, PIM2 JAK1 17/4885SIGMAR1 746/4885DRD4 1849/4885

“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.