SCHEMBL18367195

SCHEMBL18367195

COC(=O)c1ncc2cnn(-c3ccccn3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
FFAR4 Q5NUL3 3/20 0.39
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC2A1 P11166 1/20 0.38
SLC2A2 P11168 1/20 0.38

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
SCHEMBL30440527 1.00 HPGD (0.46) HPGDNPC1TP53RAB9ATSHR
SCHEMBL24267830 0.84 ALKBH2 (0.46) HPGDNPC1TP53RAB9AIRAK4
SCHEMBL29387563 0.84 ALKBH2 (0.46) HPGDNPC1TP53RAB9AIRAK4
SCHEMBL30092718 0.83 MAPT (0.48) HPGDNPC1TP53RAB9AGAA
SCHEMBL18366925 0.83 MAPT (0.48) HPGDNPC1TP53RAB9AGAA
SCHEMBL18367156 0.78 CYP11B1 (0.39) NPC1RAB9AIRAK4MAPK14MAPT
SCHEMBL30587515 0.78 CYP11B1 (0.39) NPC1RAB9AIRAK4MAPK14MAPT
SCHEMBL30204271 0.74 ALOX15 (0.50) HPGDNPC1TP53RAB9ATSHR
SCHEMBL31403608 0.74 TP53 (0.41) TP53ALDH1A1CYP2C19KDM4ECYP1A2
SCHEMBL9601990 0.74 NPC1 (0.55) HPGDNPC1TP53RAB9ATSHR

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
EP-4200281-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2023-06-28 EP 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
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
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

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 HPGD 2167/4885NPC1 541/4885TP53 4750/4885
US-20240002388-A1 PYRIMIDINONE COMPOUNDS AND USES THEREOF TYMP, DPYD, DHFR HPGD 109/4885NPC1 2263/4885TP53 3943/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 HPGD 2167/4885NPC1 541/4885TP53 4750/4885
US-12630554-B2 Pyrimidinone compounds and uses thereof CYP2D6, TPMT, CYP2B6 HPGD 924/4885NPC1 246/4885TP53 4829/4885

“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.