SCHEMBL19456012

SCHEMBL19456012

CN1CCN(CCn2ncc(-c3ccc(CN4CCN(CCn5cc(-c6ccccc6)c(N)n5)CC4)cc3)c2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.45
TNIK Q9UKE5 2/20 0.43
MC4R P32245 1/20 0.41
LMNA P02545 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
KDR P35968 4/20 0.37
NR4A2 P43354 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
FGFR1 P11362 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL17619487 0.82 FGFR1 (0.46) CHKAMC4RHRH4KDRFGFR1
SCHEMBL17619488 0.82 SMN1; SMN2 (0.48) CHKAMC4RHRH4KDRFGFR1
SCHEMBL2576720 0.72 CYP1A2 (0.49) LMNAHRH4DRD2DRD3TP53
Hydrochloric Acid SCHEMBL2578543 0.71 CYP1A2 (0.48) LMNAHRH4DRD2DRD3TP53
SCHEMBL17619462 0.71 NPC1 (0.47) KDRHDAC3HDAC1HDAC2NPC1
SCHEMBL19450178 0.71 PLK1 (0.47) LMNAHDAC3HDAC1HDAC2NPC1
SCHEMBL3687427 0.69 CHKA (0.87) CHKATNIKMC4RLMNAHDAC1
SCHEMBL17610436 0.68 SMN1; SMN2 (0.43) KDRNPC1RAB9AACVR1
SCHEMBL17610325 0.68 MAPT (0.38) LMNAKDRFGFR1DRD2DRD3
SCHEMBL16039320 0.65 LMNA (0.58) CHKATNIKMC4RLMNAKDR

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 1 patent. 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

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 CHKA 1317/4885TNIK 2354/4885MC4R 1816/4885

“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.