SCHEMBL2021944

SCHEMBL2021944

COc1ccccc1CNc1nccn2c(N)nnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.51
KARS1 Q15046 1/20 0.51
POLB P06746 1/20 0.49
EGFR P00533 1/20 0.46
MAPT P10636 4/20 0.45
TSHR P16473 5/20 0.45
ALDH1A1 P00352 4/20 0.45
CDK1 P06493 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
CLK4 Q9HAZ1 2/20 0.45
CYP2C9 P11712 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 5/20 0.43
ALOX15 P16050 4/20 0.43

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
SCHEMBL12575096 0.87 POLB (0.50) ZAP70KARS1POLBMAPTTSHR
SCHEMBL12574980 0.86 ZAP70 (0.51) ZAP70KARS1POLBMAPTTSHR
SCHEMBL2023343 0.82 CCNB2 (0.44) EGFRCDK1
SCHEMBL12481633 0.82 ADORA3 (0.46) POLBALDH1A1KDM4ETP53MEN1
SCHEMBL12638473 0.81 ZAP70 (0.54) ZAP70KARS1POLBMAPTTSHR
SCHEMBL2026084 0.81 MAPT (0.47) EGFRMAPTTSHRALDH1A1MAPK1
SCHEMBL12482181 0.81 APP (0.47) ZAP70KARS1POLBMAPTALDH1A1
SCHEMBL2025151 0.80 CYP1A2 (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2022631 0.80 SOS1 (0.44) MAPTMEN1KMT2ALMNA
SCHEMBL12481897 0.79 EGFR (0.46) EGFRTSHRALDH1A1CDK1CYP1A2

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 ZAP70 687/4885KARS1 1193/4885POLB 1650/4885

“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.