SCHEMBL17619488

SCHEMBL17619488

CN1CCN(CCn2ncc(-c3ccccc3)c2N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDR P35968 3/20 0.43
FGFR1 P11362 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
MC4R P32245 1/20 0.41
CHKA P35790 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL17619462 0.86 NPC1 (0.47) SMN1; SMN2HDAC3HDAC1HDAC2NPC1
SCHEMBL17610436 0.83 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AKDRMEN1
SCHEMBL19456012 0.82 CHKA (0.45) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL17619455 0.75 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKDRMEN1
SCHEMBL17619697 0.73 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKDRMEN1
SCHEMBL11699508 0.72 CYP1A2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17619487 0.72 FGFR1 (0.46) NPC1RAB9AKDRFGFR1SIGMAR1
SCHEMBL17619913 0.71 SIGMAR1 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL13737154 0.70 NPC1 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15654809 0.69 SIGMAR1 (0.51) KMT2ASIGMAR1

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-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
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 SMN1; SMN2 2746/4885HDAC3 1321/4885HDAC1 1601/4885

“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.