SCHEMBL15740563

SCHEMBL15740563

CC(C)c1nccc(N)c1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.37
NOS2 P35228 3/20 0.37
NCF1 P14598 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NOS1 P29475 1/20 0.32
TDO2 P48775 1/20 0.31
NR4A2 P43354 3/20 0.31
SOS2 Q07890 1/20 0.31
CD44 P16070 1/20 0.30

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
SCHEMBL9777733 0.80 NOS3 (0.35) NOS3NOS2MEN1KMT2AKDM4E
SCHEMBL29491137 0.80 NOS3 (0.35) NOS3NOS2MEN1KMT2AKDM4E
SCHEMBL19590668 0.80 NOS2 (0.56) NOS3NOS2MEN1KMT2ALMNA
SCHEMBL18978703 0.79 USP2 (0.37) NOS3NOS2NCF1NOS1
SCHEMBL18978721 0.79 USP2 (0.37) NOS3NOS2NCF1NOS1
SCHEMBL8415149 0.78 NR4A2 (0.36) NOS3NOS2NCF1MEN1KMT2A
SCHEMBL23131810 0.78 NOS3 (0.34) NOS3NOS2MEN1KMT2AKDM4E
SCHEMBL19769057 0.78 TDO2 (0.37) NOS3NOS2MEN1KMT2AKDM4E
SCHEMBL22836874 0.78 NOS3 (0.34) NOS3NOS2MEN1KMT2AKDM4E
Methylamine SCHEMBL23201523 0.78 NOS2 (0.54) NOS3NOS2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC (US) 2025-12-25 US disclosed
EP-3883576-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE Merck Sharp & Dohme Corp. (US) 2021-09-29 EP disclosed
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
CN-105683188-B The ring pyridinyl derivatives of condensed ring two as FGFR4 inhibitor 诺华股份有限公司 2018-02-09 CN disclosed
CN-104955824-B It is used as the aminopyrimidine compounds of the inhibitor of the EGFR mutant containing T790M 豪夫迈·罗氏有限公司 2017-09-22 CN disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
EP-2922851-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2015-09-30 EP disclosed
CN-104955824-A Aminopyrimidine compounds as inhibitors of t790m containing egfr mutants GENENTECH INC 2015-09-30 CN disclosed
WO-2014081718-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-05-30 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-20250387397-A1 SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA1 NOS3 2230/4885NOS2 2495/4885NCF1 2898/4885

“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.