SCHEMBL900582

SCHEMBL900582

NC(=O)c1cnc(NC2CCCCC2N)nc1Nc1cccc(-n2nccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 1.00
JAK2 O60674 1/20 1.00
LCK P06239 1/20 1.00
YES1 P07947 1/20 1.00
LYN P07948 1/20 1.00
FGR P09769 1/20 1.00
SRC P12931 1/20 1.00
PRKCA P17252 1/20 1.00
FLT3 P36888 1/20 1.00
ZAP70 P43403 1/20 1.00
MAP3K9 P80192 1/20 1.00
KCNH2 Q12809 1/20 1.00
PAK5 Q9P286 1/20 1.00

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
SCHEMBL899872 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL1352147 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL14977351 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL13624896 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL1353814 1.00 SYK (1.00) SYKJAK2LCKYES1LYN
Hydrochloric Acid SCHEMBL29392320 0.99 SYK (0.98) SYKJAK2LCKYES1LYN
Hydrochloric Acid SCHEMBL900878 0.99 SYK (0.98) SYKJAK2LCKYES1LYN
SCHEMBL1353568 0.98 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL1353566 0.98 SYK (1.00) SYKJAK2LCKYES1LYN
SCHEMBL1353462 0.98 SYK (1.00) SYKJAK2LCKYES1LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252917-A1 COMBINATION THERAPY OF 4-(3-(2H-1,2,3-TRIAZO-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO)PYRIMIDINE-5-CARBOXAMIDE AND FLUDARABINE PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
WO-2012045010-A1 COMBINATIONS OF 4-(3-(2H-1,2,3-TRIAZO-2-YL) PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO) PYRIMIDINE-5-CARBOXAMIDE AND FLUDARABINE PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-05 WO disclosed
WO-2012045010-A1 COMBINATIONS OF 4-(3-(2H-1,2,3-TRIAZO-2-YL) PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO) PYRIMIDINE-5-CARBOXAMIDE AND FLUDARABINE PORTOLA PHARMACEUTICALS, INC. (US) 2012-04-05 WO 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-20130252917-A1 COMBINATION THERAPY OF 4-(3-(2H-1,2,3-TRIAZO-2-YL)PHENYLAMINO)-2-((1R,2S)-2-AMINOCYCLOHEXYLAMINO)PYRIMIDINE-5-CARBOXAMIDE AND FLUDARABINE BCL9, BCL9L, MCL1 SYK 101/4885JAK2 137/4885LCK 848/4885

“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.