SCHEMBL520119

SCHEMBL520119

Nc1ccc2c(c1)CCC(N1CCOCC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
GRIN2B Q13224 5/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AXL P30530 1/20 0.38
ETV6 P41212 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
OPRL1 P41146 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37

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
SCHEMBL24740620 0.92 GAA (0.43) HRH3GRIN2BGAAMAPTSMN1; SMN2
SCHEMBL30223296 0.88 HRH3 (0.46) HRH3GRIN2BAXLETV6
SCHEMBL24073458 0.88 HRH3 (0.46) HRH3GRIN2BAXLETV6
SCHEMBL467492 0.85 HTR1D (0.44) HRH3GRIN2BL3MBTL3L3MBTL1AXL
SCHEMBL19633006 0.85 HTR1D (0.44) HRH3GRIN2BL3MBTL3L3MBTL1AXL
SCHEMBL2060586 0.83 GRIN2B (0.44) HRH3GRIN2BGAAMAPTBRD4
SCHEMBL1953271 0.82 HRH3 (0.49) HRH3GRIN2BBRD4ATAD2
SCHEMBL308901 0.81 MAPT (0.46) GRIN2BGAAMAPTSMN1; SMN2L3MBTL3
SCHEMBL24073059 0.80 KCNH2 (0.40) HRH3GRIN2BSMN1; SMN2IRAK4BRD4
SCHEMBL2061763 0.80 GRIN2B (0.42) HRH3GRIN2BGAAMAPTL3MBTL3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022171128-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE SERVING AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-18 WO disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
WO-2010141796-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES CEPHALON, INC. (US) 2010-12-09 WO disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 (4 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET HRH3 703/4885GRIN2B 2879/4885GAA 3538/4885
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 HRH3 309/4885GRIN2B 1061/4885GAA 3413/4885
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CCNA1, CCNY, RB1 HRH3 363/4885GRIN2B 2032/4885GAA 3280/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HRH3 1453/4885GRIN2B 3303/4885GAA 3085/4885

“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.