SCHEMBL6364028

SCHEMBL6364028

NNc1ncnc2c1cnn2-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 1.00
ALDH1A1 P00352 8/20 1.00
LMNA P02545 7/20 1.00
MAPT P10636 7/20 1.00
HTT P42858 4/20 1.00
GAA P10253 2/20 1.00
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
TSHR P16473 7/20 0.68
HSD17B10 Q99714 7/20 0.68
TP53 P04637 6/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
HPGD P15428 6/20 0.68
MAPK10 P53779 1/20 0.67
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
EGFR P00533 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
PI4KA P42356 1/20 0.66

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
Hydrochloric Acid SCHEMBL6363785 0.98 KDM4E (0.97) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6071213 0.87 KDM4E (0.76) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6071449 0.86 KDM4E (0.75) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL8344591 0.85 LMNA (0.74) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6275801 0.84 LMNA (0.71) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6206404 0.84 LMNA (0.71) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6204720 0.84 KDM4E (0.74) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6204905 0.84 MAPT (0.71) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6263645 0.84 MAPT (0.82) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL6206370 0.82 KDM4E (0.73) KDM4EALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267133-A1 Pyrazolopyrimidines as kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-01 US disclosed
EP-1534389-A2 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-01 EP disclosed
WO-2004009596-A2 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
US-4182878-A ANTICARCINOGENIC THE LION DENTRIFICE CO., LTD. (JP) 1980-01-08 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-20050267133-A1 Pyrazolopyrimidines as kinase inhibitors BRAF, MAP3K2, MAP3K19 KDM4E 1617/4885ALDH1A1 3141/4885LMNA 4354/4885

“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.