SCHEMBL12575083

SCHEMBL12575083

Cc1nnc2c(Nc3ccccc3F)nccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
BRD4 O60885 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.40
GSK3B P49841 1/20 0.40
MAPK10 P53779 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PIM1 P11309 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12575119 0.86 BRD4 (0.45) BRD4MAPTHTTKDM4EMAPK10
SCHEMBL2018614 0.83 MAPT (0.46) LRRK2MAPTHTTKDM4EMAPK10
SCHEMBL12575056 0.81 KDM4E (0.47) BRD4MAPTHTTKDM4EMAPK10
SCHEMBL12575092 0.79 TP53 (0.55) BRD4KDM4ERXFP1PIM1PIM2
SCHEMBL12575115 0.79 ADORA3 (0.46) BRD4KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL12575064 0.78 BRD4 (0.54) BRD4MAPTHTTKDM4EMAPK10
SCHEMBL12575058 0.77 ADORA3 (0.59) SMN1; SMN2ALDH1A1
SCHEMBL12575062 0.77 BRD4 (0.47) LRRK2BRD4MAPTHTTKDM4E
SCHEMBL12575104 0.76 NPC1 (0.47) BRD4MAPTHTTRXFP1MEN1
SCHEMBL12575081 0.75 BRD4 (0.56) BRD4MAPTHTTKDM4ETDP1

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-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO LRRK2 2325/4885BRD4 192/4885MAPT 2493/4885

“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.