SCHEMBL17918656

SCHEMBL17918656

Cc1ccn(C2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACKR3 P25106 2/20 0.36
TP53 P04637 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.34
PDE9A O76083 2/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 1/20 0.34
OGA O60502 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
LRRK2 Q5S007 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL15034177 0.86
SCHEMBL10049903 0.82 SIGMAR1 (0.39) SIGMAR1TP53HCAR1
SCHEMBL16969326 0.82 SIGMAR1 (0.36) SIGMAR1TP53
SCHEMBL15034188 0.81 MAPT (0.33) SIGMAR1TP53
SCHEMBL10049902 0.81 SIGMAR1 (0.41) SIGMAR1TP53HCAR1
SCHEMBL26157220 0.79 TP53 (0.33) TP53
SCHEMBL24884463 0.78 MAP3K12 (0.36) SIGMAR1IRAK4LRRK2
SCHEMBL12208791 0.78 NOS1 (0.35) TP53JAK2JAK1LRRK2HCAR1
SCHEMBL23712673 0.78 KDM4E (0.35) TP53
SCHEMBL31705461 0.78 FAAH (0.40) FAAHMGLLSIGMAR1ACKR3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2024-08-13 US disclosed
US-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2022-07-14 US disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
WO-2020070331-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2020-04-09 WO disclosed
WO-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY (RU) 2016-07-14 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 (3 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-20220220117-A1 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 FAAH 2241/4885MGLL 3954/4885SIGMAR1 636/4885
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 FAAH 2241/4885MGLL 3954/4885SIGMAR1 636/4885
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES BRAF, CNKSR1, RAF1 FAAH 3453/4885MGLL 4043/4885SIGMAR1 4247/4885

“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.