SCHEMBL2018614

SCHEMBL2018614

Nc1nnc2c(Nc3ccccc3F)nccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ADORA2A P29274 2/20 0.40
PTK2 Q05397 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PIM1 P11309 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LCK P06239 1/20 0.38
TP53 P04637 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AURKA O14965 1/20 0.35

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
SCHEMBL12476568 0.83 L3MBTL1 (0.42) MAPTHTTKDM4EALDH1A1MAPK10
SCHEMBL12575083 0.83 LRRK2 (0.46) MAPTHTTLRRK2KDM4EPTK2
SCHEMBL2026084 0.80 MAPT (0.47) MAPTKDM4EALDH1A1MAPK10SMN1; SMN2
SCHEMBL12476722 0.80 MAPT (0.42) MAPTADORA2AMAPK10SMN1; SMN2MEN1
SCHEMBL12481633 0.79 ADORA3 (0.46) LRRK2KDM4EADORA2AALDH1A1SMN1; SMN2
SCHEMBL12476988 0.79 TP53 (0.45) KDM4EADORA2APIM1CSNK2BCSNK2A1
SCHEMBL2025640 0.78 LMNA (0.48) MAPTHTTKDM4EADORA2AALDH1A1
SCHEMBL12476575 0.77 ADORA3 (0.59) ADORA2AALDH1A1SMN1; SMN2ADORA3LMNA
SCHEMBL12476490 0.75 ADORA3 (0.40) MAPTADORA2ATP53ADORA3
SCHEMBL2025916 0.74 MAPT (0.43) MAPTHTTLRRK2KDM4EALDH1A1

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 7 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-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
WO-2011082267-A2 SUBSTITUTED TRIAZOLO-PYRAZINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 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 MAPT 2493/4885HTT 1571/4885LRRK2 2325/4885

“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.