SCHEMBL4477938

SCHEMBL4477938

CNc1cccnc1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 11/20 0.42
TYK2 P29597 2/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
LRRK2 Q5S007 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
GRM5 P41594 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
SCHEMBL20688206 0.84 IDO1 (0.44) MKNK2TYK2ALOX5APFEN1KDM4E
SCHEMBL21246154 0.81 MKNK2 (0.44) MKNK2TYK2KDM4EMAPTSLC13A5
SCHEMBL3904232 0.79 SLC22A12 (0.46) TYK2KDM4EMAPTGRM5
SCHEMBL1690312 0.77 ALOX5AP (0.49) MKNK2ALOX5APFEN1LRRK2SLC13A5
SCHEMBL28442269 0.76 L3MBTL1 (0.48) MAPTGRM5
SCHEMBL2614923 0.75 LRRK2 (0.45) MKNK2ALOX5APFEN1KDM4ELRRK2
SCHEMBL29497424 0.75 LRRK2 (0.45) MKNK2ALOX5APFEN1KDM4ELRRK2
SCHEMBL20687657 0.74 TYK2 (0.42) TYK2
SCHEMBL21254721 0.74 ALOX5AP (0.50) ALOX5APFEN1
SCHEMBL2609320 0.73 LRRK2 (0.40) ALOX5APFEN1LRRK2SLC13A5TRPM8

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
EP-3828184-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR Medshine Discovery Inc. (CN) 2021-06-02 EP disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 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 (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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH MKNK2 747/4885TYK2 511/4885ALOX5AP 2978/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MKNK2 96/4885TYK2 1/4885ALOX5AP 3531/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MKNK2 747/4885TYK2 511/4885ALOX5AP 2978/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MKNK2 96/4885TYK2 1/4885ALOX5AP 3531/4885

“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.