SCHEMBL423047

SCHEMBL423047

COC(=O)c1ccc(C(C)=O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL2892480 0.89 MAPT (0.64) KMT2AMAPTKDM4EALDH1A1RAB9A
SCHEMBL20630742 0.87 KMT2A (0.57) KMT2ALMNAKDM4EALDH1A1RAB9A
SCHEMBL2406876 0.86 MAPT (0.60) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL129159 0.86 HDAC1 (0.57) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL30221732 0.86 CA12 (0.65) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL7019824 0.86 CA12 (0.65) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL15540848 0.84 MAPK1 (0.55) KMT2AMAPTKDM4EALDH1A1RAB9A
SCHEMBL7431931 0.84 KDM4E (0.50) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL7284622 0.84 ALDH1A1 (0.61) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL7290228 0.82 KMT2A (0.53) KMT2ALMNAALDH1A1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858767-B As the aminopyrimidine of SYK inhibitor MERCK SHARP & DOHME CORP. (US) 2015-08-19 CN disclosed
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
CN-102858767-A Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME 2013-01-02 CN disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
EP-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KMT2A 1532/4885LMNA 4848/4885MAPT 3486/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK KMT2A 1532/4885LMNA 4848/4885MAPT 3486/4885
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 KMT2A 4613/4885LMNA 3201/4885MAPT 3989/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KMT2A 1532/4885LMNA 4848/4885MAPT 3486/4885

“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.