SCHEMBL1173565

SCHEMBL1173565

CC(C)C(=O)c1cncnc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.52
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
DBH P09172 1/20 0.42
RECQL P46063 1/20 0.42
FFAR1 O14842 1/20 0.35
BCAT2 O15382 1/20 0.34
ACHE P22303 1/20 0.32
ACACB O00763 1/20 0.32
VNN1 O95497 1/20 0.32
HTT P42858 1/20 0.32
AR P10275 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
APP P05067 1/20 0.31
HCAR3 P49019 1/20 0.31

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
SCHEMBL20970390 0.82 HCAR2 (0.48) HCAR2BCAT2ACHEACACBVNN1
SCHEMBL6251854 0.82 HCAR2 (0.48) HCAR2BCAT2ACHEACACBVNN1
SCHEMBL13197237 0.81 KDM4E (0.47) HCAR2KDM4EGAADBHRECQL
SCHEMBL5159945 0.80 HCAR2 (0.52) HCAR2KDM4EGAABCAT2AR
SCHEMBL24814137 0.80 HDAC3 (0.47) KDM4EGAADBHRECQLHTT
SCHEMBL13827952 0.79 HCAR2 (0.45) HCAR2BCAT2ACHEACACBALDH1A1
SCHEMBL5160515 0.77 HCAR2 (0.48) HCAR2KDM4EGAABCAT2AR
SCHEMBL10588177 0.74 KDM4E (0.41) HCAR2KDM4EGAADBHRECQL
SCHEMBL29993557 0.74 ALDH1A1 (0.59) HCAR2GAAHTTALDH1A1MEN1
SCHEMBL21729381 0.74 MKNK1 (0.45) HCAR2KDM4EGAADBHRECQL

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 62 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-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-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 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-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
EP-3433245-B1 HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2022-04-27 EP disclosed
US-11230538-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2022-01-25 US disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
EP-0382368-A1 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-16 EP disclosed
EP-0370629-A1 Fungicides ZENECA LIMITED (GB) 1990-05-30 EP disclosed
US-4902332-A PLANT GROWTH REGULATORS, FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-20 US disclosed
EP-0347044-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-12-20 EP disclosed
US-4875922-A FUNGICIDES; PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-24 US disclosed
EP-0304171-A1 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed
US-4806644-A HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS AND INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0272813-A2 Pyrimidine derivatives ZENECA LIMITED (GB) 1988-06-29 EP disclosed
US-4713456-A HERBICIDE INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-12-15 US disclosed
EP-0173190-A2 Process for the preparation of 5-acyl pyrimidines BAYER AG (DE) 1986-03-05 EP 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 (8 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-11230538-B2 Herbicides DDT, HPD, PDXK HCAR2 964/4885KDM4E 686/4885GAA 385/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS HCAR2 3984/4885KDM4E 2788/4885GAA 31/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 HCAR2 1037/4885KDM4E 2169/4885GAA 16/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 HCAR2 3736/4885KDM4E 1262/4885GAA 4152/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 HCAR2 3679/4885KDM4E 2301/4885GAA 935/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 HCAR2 1579/4885KDM4E 2236/4885GAA 17/4885
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 HCAR2 1687/4885KDM4E 3571/4885GAA 3675/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 HCAR2 2984/4885KDM4E 4410/4885GAA 1061/4885

“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.