SCHEMBL8016097

SCHEMBL8016097

CC(C)C(=O)c1ccncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.52
GRM4 Q14833 2/20 0.42
FAAH O00519 1/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.37
DBH P09172 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
CCR8 P51685 1/20 0.36
KCNH2 Q12809 1/20 0.36
GSK3B P49841 2/20 0.36
GSK3A P49840 1/20 0.36
CHRM2 P08172 1/20 0.36
GRM5 P41594 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5160899 0.83 P2RX7 (0.47) P2RX7GRM4FAAHCTNNB1WNT3A
SCHEMBL13827559 0.82 P2RX7 (0.50) P2RX7GRM4FAAHCTNNB1WNT3A
SCHEMBL5161602 0.80 P2RX7 (0.45) P2RX7GRM4FAAHCTNNB1WNT3A
SCHEMBL13729034 0.79 POLB (0.44) P2RX7GRM4CYP1A2CYP3A4GSK3B
SCHEMBL882669 0.77
SCHEMBL4411674 0.77 P2RX7 (0.49) P2RX7GRM4FAAHCTNNB1WNT3A
SCHEMBL3567261 0.77 P2RX7 (0.45) P2RX7GRM4FAAHCTNNB1WNT3A
SCHEMBL28171086 0.76 P2RX7 (0.61) P2RX7GRM4FAAHCTNNB1WNT3A
SCHEMBL6646372 0.76 P2RX7 (0.61) P2RX7GRM4CTNNB1WNT3ABRD4
SCHEMBL5558104 0.76 P2RX7 (0.47) P2RX7GRM4FAAHCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-10822312-B2 Substituted quinazoline compounds and methods of use ARAXES PHARMA LLC (US) 2020-11-03 US disclosed
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA, LLC 2019-05-02 US disclosed
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
US-4166869-A Use of certain acyl-pyrimidines as flavouring agents FIRMENICH, S.A. (CH) 1979-09-04 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 (12 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 P2RX7 848/4885GRM4 3878/4885FAAH 1808/4885
US-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 P2RX7 4364/4885GRM4 4144/4885FAAH 1054/4885
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS P2RX7 4053/4885GRM4 4458/4885FAAH 4648/4885
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE NRAS, KRAS, HRAS P2RX7 3999/4885GRM4 4290/4885FAAH 3147/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS P2RX7 4811/4885GRM4 3685/4885FAAH 4213/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 P2RX7 4387/4885GRM4 4146/4885FAAH 885/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 P2RX7 4489/4885GRM4 3620/4885FAAH 4225/4885
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES CYP3A4, CYP4A22, HCCS P2RX7 3153/4885GRM4 4080/4885FAAH 2818/4885
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS PREP, HCCS, PEPD P2RX7 4568/4885GRM4 4752/4885FAAH 2047/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 P2RX7 4103/4885GRM4 1340/4885FAAH 4319/4885
US-10822312-B2 Substituted quinazoline compounds and methods of use NRAS, KRAS, HRAS P2RX7 4308/4885GRM4 4444/4885FAAH 2989/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS P2RX7 4672/4885GRM4 4794/4885FAAH 3459/4885

“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.