SCHEMBL17610325

SCHEMBL17610325

Nc1nn(CCN2CCC(F)(F)CC2)cc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
PLK1 P53350 1/20 0.36
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
PTGIR P43119 1/20 0.34
CYP1A2 P05177 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
SCHEMBL17619925 0.89 SIGMAR1 (0.42) MAPTNOS3NOS1NOS2HRH3
SCHEMBL2576720 0.84 CYP1A2 (0.49) SMN1; SMN2HRH3DRD3DRD2CYP1A2
SCHEMBL17619487 0.83 FGFR1 (0.46) NPC1RAB9AFGFR1KDRCYP1A2
Hydrochloric Acid SCHEMBL2578543 0.83 CYP1A2 (0.48) RAB9AHRH3DRD3DRD2CYP1A2
SCHEMBL19450178 0.83 PLK1 (0.47) MAPTSMN1; SMN2NPC1RAB9APLK1
SCHEMBL17610340 0.82 PLK1 (0.43) MAPTSMN1; SMN2NPC1RAB9ANOS3
SCHEMBL17610436 0.74 SMN1; SMN2 (0.43) MAPTSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL17610272 0.73 PLK1 (0.42) MAPTPLK1GRIN1GRIN2BPTGIR
SCHEMBL17619532 0.72 SMN1; SMN2 (0.43) MAPTSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL17610394 0.71 KDM4C (0.54) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
WO-2016044666-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2016-03-24 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-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 MAPT 4400/4885SMN1; SMN2 2746/4885NPC1 2481/4885

“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.