SCHEMBL4173650

SCHEMBL4173650

NC(=O)c1ccnc(C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.48
KDM4B O94953 1/20 0.46
KDM5C P41229 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
HDAC4 P56524 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
OPRM1 P35372 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL29050696 0.89 JAK2 (0.44) PROKR1KDM4BKDM5CKDM5BDDB1
SCHEMBL6494259 0.85 PROKR1 (0.50) PROKR1KDM5CKDM5BHDAC4HDAC3
SCHEMBL31196421 0.85 AKR1C3 (0.45) PROKR1KDM4BKDM5CKDM5BDDB1
SCHEMBL31196453 0.85 AKR1C3 (0.45) PROKR1KDM4BKDM5CKDM5BDDB1
SCHEMBL16094504 0.84 KDM4C (0.53) PROKR1KDM4BKDM5CKDM5BHDAC4
SCHEMBL30504055 0.84 KDM4C (0.53) PROKR1KDM4BKDM5CKDM5BHDAC4
SCHEMBL6118725 0.83 PRKD1 (0.45) KDM4BKDM5CKDM5BDDB1CRBN
SCHEMBL25984345 0.82 PROKR1 (0.48) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL28318564 0.82 PROKR1 (0.42) PROKR1HDAC4HDAC3HDAC7HDAC8
SCHEMBL18230111 0.81 OPRM1 (0.47) PROKR1KDM4BKDM5CKDM5BOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 US disclosed
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 US disclosed
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 US disclosed
US-11622968-B2 Heterocyclic modulators of lipid synthesis SAGIMET BIOSCIENCES INC. (US) 2023-04-11 US disclosed
CN-110248932-B Pyrimidine tricycloalkenone derivatives for ROR γ inhibition and other uses 里亚塔医药公司 2023-03-10 CN disclosed
CN-115715189-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2023-02-24 CN disclosed
EP-4125831-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2023-02-08 EP disclosed
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-09-22 US disclosed
WO-2021195066-A2 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2021-09-30 WO disclosed
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2019-09-05 US disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 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 (5 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-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD PROKR1 4466/4885KDM4B 2757/4885KDM5C 1670/4885
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 PROKR1 2637/4885KDM4B 2241/4885KDM5C 2379/4885
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 PROKR1 1296/4885KDM4B 2664/4885KDM5C 1990/4885
US-20190269694-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD PROKR1 4466/4885KDM4B 2757/4885KDM5C 1670/4885
US-11622968-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD PROKR1 4466/4885KDM4B 2757/4885KDM5C 1670/4885

“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.