SCHEMBL2642373

SCHEMBL2642373

FC(F)(F)c1cc([S])ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.53
LOX P28300 1/20 0.52
NOTUM Q6P988 1/20 0.44
IDO1 P14902 1/20 0.44
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
CA2 P00918 1/20 0.40
CHKA P35790 1/20 0.40
AR P10275 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KCNQ2 O43526 1/20 0.38
MAP4K4 O95819 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
HDAC4 P56524 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35

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
SCHEMBL2327508 0.76 NOS3 (0.59) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL30328281 0.76 LOXL2 (0.53) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL1643559 0.76 LOXL2 (0.53) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL484767 0.74 LOXL2 (0.52) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL1199840 0.74 LOXL2 (0.52) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL30568085 0.74 LOXL2 (0.52) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL111794 0.74 LOXL2 (0.57) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL365253 0.74 LOXL2 (0.52) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL132320 0.74 LOXL2 (0.52) LOXL2LOXNOTUMIDO1SMARCA2
SCHEMBL2642375 0.74 LOXL2 (0.52) LOXL2LOXNOTUMIDO1SMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885LOX 1831/4885NOTUM 3508/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 LOXL2 2252/4885LOX 1812/4885NOTUM 3560/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 LOXL2 2232/4885LOX 1831/4885NOTUM 3508/4885

“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.