SCHEMBL4572178

SCHEMBL4572178

CC[C@H](C)Nc1ncnc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.63
NR2F2 P24468 3/20 0.63
RAB9A P51151 5/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 4/20 0.52
S1PR2 O95136 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 4/20 0.51
EGFR P00533 3/20 0.50
LDHA P00338 1/20 0.50
DAPK3 O43293 1/20 0.50
MAP4K4 O95819 1/20 0.50
ABL1 P00519 1/20 0.50
ERBB2 P04626 1/20 0.50
PIM1 P11309 1/20 0.50
PRKACA P17612 1/20 0.50

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
SCHEMBL13283199 1.00 GALR3 (0.63) GALR3NR2F2RAB9AKMT2AMEN1
SCHEMBL28681710 0.86 GALR3 (0.61) GALR3NR2F2RAB9AKMT2AMEN1
SCHEMBL28681711 0.86 GALR3 (0.61) GALR3NR2F2RAB9AKMT2AMEN1
SCHEMBL8516852 0.83 NR2F2 (0.62) GALR3NR2F2RAB9ASMN1; SMN2LMNA
SCHEMBL11254153 0.83 LDHA (0.61) GALR3NR2F2RAB9AKMT2AMEN1
SCHEMBL15889088 0.83 GALR3 (0.71) GALR3NR2F2RAB9AKMT2AMEN1
SCHEMBL30117681 0.83 GALR3 (0.71) GALR3NR2F2RAB9AKMT2AMEN1
SCHEMBL11256846 0.81 NR2F2 (0.59) GALR3NR2F2RAB9AKMT2ANPC1
SCHEMBL8490824 0.80 NR2F2 (0.55) GALR3NR2F2RAB9AKMT2ANPC1
SCHEMBL26008653 0.79 HTT (0.51) GALR3NR2F2SMN1; SMN2LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GALR3 1844/4885NR2F2 3864/4885RAB9A 741/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB GALR3 2897/4885NR2F2 3208/4885RAB9A 984/4885

“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.