SCHEMBL2060748

SCHEMBL2060748

Nc1ccc2c(c1)CCC(=O)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CA9 Q16790 1/20 0.50
ATAD2 Q6PL18 2/20 0.47
HSD17B3 P37058 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2B Q13224 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL17925963 0.88
SCHEMBL5022423 0.87 CYP2A6 (0.54) CASP1CASP7HSD17B10CA9ATAD2
SCHEMBL27174130 0.87 CYP2A6 (0.54) CASP1CASP7HSD17B10CA9ATAD2
SCHEMBL29779691 0.78 CA12 (0.48) CASP1CASP7HSD17B10CA9ATAD2
SCHEMBL42805 0.78 CA12 (0.48) CASP1CASP7HSD17B10CA9ATAD2
SCHEMBL264473 0.78 ADRA2A (0.47) CASP1CASP7HSD17B10CA9ATAD2
Hydrochloric Acid SCHEMBL2476978 0.76 CA12 (0.47) CASP1CASP7HSD17B10CA9ATAD2
SCHEMBL21033028 0.76 HSD17B10 (0.48) CASP1CASP7HSD17B10CA9ATAD2
SCHEMBL7967652 0.76 HSD17B10 (0.48) CASP1CASP7HSD17B10CA9ATAD2
SCHEMBL20776763 0.76 HSD17B10 (0.48) CASP1CASP7HSD17B10CA9ATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
WO-2021239133-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR 南京正大天晴制药有限公司 2021-12-02 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-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-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP 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
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-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US 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-2010005876-A2 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-01-14 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
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US 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
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
EP-1594494-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
US-20040224939-A1 Antibacterial agents CHUPAK LOUIS S (US) 2004-11-11 US disclosed
WO-2004069244-A1 OXAZOLIDINONE DERIVATIVES N-SUBSTITUTED BY A BICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET CASP1 2471/4885CASP7 1873/4885HSD17B10 4144/4885
US-20040224939-A1 Antibacterial agents MRPL21, RPN2, FBL CASP1 937/4885CASP7 256/4885HSD17B10 1758/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP CASP1 1901/4885CASP7 1755/4885HSD17B10 4605/4885

“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.