SCHEMBL18367194

SCHEMBL18367194

Clc1ncc2cnn(-c3ccccn3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP17A1 P05093 2/20 0.40
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40
PTK2 Q05397 1/20 0.39
DPP4 P27487 1/20 0.38
RAB9A P51151 2/20 0.37
GSK3B P49841 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 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
SCHEMBL29387304 1.00 IRAK4 (0.42) IRAK4KDM4ECYP17A1AURKAFLT3
SCHEMBL18367192 0.79 CYP17A1 (0.44) IRAK4KDM4ECYP17A1AURKAFLT3
SCHEMBL30587545 0.79 CYP17A1 (0.44) IRAK4KDM4ECYP17A1AURKAFLT3
SCHEMBL343580 0.79 KDM4E (0.56) KDM4ERAB9ACYP1A2NPC1TP53
SCHEMBL24267834 0.78 IRAK4 (0.40) IRAK4KDM4ECYP17A1DPP4RAB9A
SCHEMBL29390315 0.78 IRAK4 (0.40) IRAK4KDM4ECYP17A1DPP4RAB9A
SCHEMBL5683198 0.77 KDM4E (0.67) IRAK4KDM4ECYP17A1AURKAFLT3
SCHEMBL29714856 0.77 KDM4E (0.67) IRAK4KDM4ECYP17A1AURKAFLT3
SCHEMBL24267830 0.77 ALKBH2 (0.46) IRAK4KDM4ECYP17A1DPP4RAB9A
SCHEMBL29387563 0.77 ALKBH2 (0.46) IRAK4KDM4ECYP17A1DPP4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630554-B2 Pyrimidinone compounds and uses thereof HUTCHISON MEDIPHARMA LIMITED (CN) 2026-05-19 US disclosed
US-20240002388-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2024-01-04 US disclosed
CN-116249696-A Pyrimidinone compounds and use thereof 和记黄埔医药(上海)有限公司 2023-06-09 CN disclosed
WO-2022037585-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-02-24 WO disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 IRAK4 3365/4885KDM4E 3546/4885CYP17A1 59/4885
US-20240002388-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF TYMP, DPYD, DHFR IRAK4 2740/4885KDM4E 2745/4885CYP17A1 445/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 IRAK4 3365/4885KDM4E 3546/4885CYP17A1 59/4885
US-12630554-B2 Pyrimidinone compounds and uses thereof CYP2D6, TPMT, CYP2B6 IRAK4 3670/4885KDM4E 3657/4885CYP17A1 450/4885

“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.