SCHEMBL2060735

SCHEMBL2060735

C=CCOc1cccc(F)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
LIG1 P18858 1/20 0.41
HTR2C P28335 8/20 0.40
HTR2B P41595 6/20 0.40
HTR2A P28223 4/20 0.40
ADRB2 P07550 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM5 P08912 2/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 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
SCHEMBL29520257 1.00 MAPT (0.43) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL26118236 0.87 TSHR (0.53) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL9671334 0.81 TSHR (0.45) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL5460266 0.81 HTR2C (0.46) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL11601509 0.81 HPGD (0.51) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL324337 0.79 LIG1 (0.44) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL29496131 0.79 LIG1 (0.44) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL21728039 0.79 MAPT (0.47) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL9869935 0.79 TSHR (0.42) MAPTL3MBTL1TSHRHPGDMAPK1
SCHEMBL21736938 0.76 ADRA2A (0.42) MAPTL3MBTL1TSHRHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN 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-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-2514748-A1 2,4-diaminoquinazolines for spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2012-10-24 EP disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US 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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 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
CN-101535276-A 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC (US) 2009-09-16 CN 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-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B MAPT 597/4885L3MBTL1 2733/4885TSHR 4649/4885
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET MAPT 3881/4885L3MBTL1 712/4885TSHR 1728/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MAPT 3881/4885L3MBTL1 712/4885TSHR 1728/4885

“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.