SCHEMBL12488772

SCHEMBL12488772

Bc1cnc2nnc(-c3ccccc3)n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
CSNK1A1 P48729 2/20 0.40
MAP4K2 Q12851 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
ABL1 P00519 1/20 0.40
PDGFRA P16234 1/20 0.40
CDK7 P50613 1/20 0.40
BTK Q06187 1/20 0.40
AURKB Q96GD4 1/20 0.40
MET P08581 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK14 Q16539 2/20 0.38
CHEK1 O14757 1/20 0.38
MAPT P10636 1/20 0.38
LIMK1 P53667 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 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
SCHEMBL2020736 0.83 MET (0.54) KMT2ACSNK1A1MAP4K2CLK4DYRK1B
SCHEMBL2014924 0.80 KMT2A (0.40) KMT2ACSNK1A1MAP4K2CLK4DYRK1B
SCHEMBL30498959 0.70 GAA (0.45) KMT2ACSNK1A1MAP4K2CLK4DYRK1B
SCHEMBL12473149 0.68 ALDH1A1 (0.45) KMT2ACSNK1A1CLK4DYRK1BKDM4E
SCHEMBL11483506 0.68 MET (0.52) KMT2ACSNK1A1MAP4K2CLK4DYRK1B
SCHEMBL2018913 0.66 TNK2 (0.46) BTKMETKDM4EALDH1A1DYRK1A
SCHEMBL2016787 0.66 GRK5 (0.43) ALDH1A1TDP1GRK5HSD17B10
SCHEMBL23571431 0.65
SCHEMBL9974897 0.62 LDHA (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21202923 0.61 NPC1 (0.65) KMT2AMAPTNPC1RAB9ASMN1; SMN2

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
WO-2011082271-A2 SUBSTITUTED TRIAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160226-A1 Substituted Triazolo-Pyrimidine 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-20110160226-A1 Substituted Triazolo-Pyrimidine Compounds TYMP, TK1, DPYD KMT2A 2412/4885CSNK1A1 1370/4885MAP4K2 806/4885

“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.