SCHEMBL670174

SCHEMBL670174

COC(=O)c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.53
PRKCD Q05655 2/20 0.53
CHEK1 O14757 1/20 0.53
IKBKB O14920 1/20 0.53
NPC1 O15118 1/20 0.53
PDPK1 O15530 1/20 0.53
CHEK2 O96017 1/20 0.53
PRKCG P05129 1/20 0.53
CDK1 P06493 1/20 0.53
LYN P07948 1/20 0.53
MAPT P10636 1/20 0.53
KIT P10721 1/20 0.53
PIM1 P11309 1/20 0.53
FGFR1 P11362 1/20 0.53
FGFR3 P22607 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
MARK3 P27448 1/20 0.53
MAPK1 P28482 1/20 0.53
EPHA2 P29317 1/20 0.53

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
SCHEMBL5598434 0.84 JAK2 (0.57) AURKAPRKCDCHEK1IKBKBNPC1
SCHEMBL29484634 0.84 AURKA (0.59) AURKAPRKCDCHEK1IKBKBNPC1
SCHEMBL670431 0.84 KDM4E (0.62) AURKAPRKCDCHEK1IKBKBNPC1
SCHEMBL25883208 0.82 GSK3A (0.58) AURKAPRKCDCHEK1IKBKBNPC1
SCHEMBL29466293 0.81 MAPK8 (0.60) AURKAPRKCDCHEK1IKBKBNPC1
SCHEMBL25876104 0.81 AURKA (0.51) AURKAPRKCDCHEK1IKBKBNPC1
SCHEMBL27862873 0.79 CA1 (0.51) NPC1RAB9AATMMAPK8
SCHEMBL1788322 0.79 KDM4E (0.46) NPC1MAPTMAPK1RAB9AATM
SCHEMBL4186091 0.78 AURKA (0.51) AURKAPRKCDCHEK1IKBKBNPC1
SCHEMBL25879066 0.78 GSK3A (0.57) AURKAPRKCDCHEK1IKBKBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083108-B2 Compounds for targeting mutant huntingtin protein and uses thereof CHDI FOUNDATION, INC. (US) 2024-09-10 US disclosed
US-20220409600-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF CHDI FOUNDATION, INC. 2022-12-29 US disclosed
US-20220409600-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF CHDI FOUNDATION, INC. 2022-12-29 US disclosed
US-11389438-B2 Compounds for targeting mutant huntingtin protein and uses thereof CHDI FOUNDATION, INC. (US) 2022-07-19 US disclosed
EP-3931186-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF CHDI Foundation, Inc. (US) 2022-01-05 EP disclosed
US-20200276176-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF CHDI FOUNDATION, INC. 2020-09-03 US disclosed
US-20200276176-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF CHDI FOUNDATION, INC. 2020-09-03 US disclosed
WO-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 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-12083108-B2 Compounds for targeting mutant huntingtin protein and uses thereof HTT, HYPK, UBQLN2 AURKA 3376/4885PRKCD 2886/4885CHEK1 1824/4885
US-11389438-B2 Compounds for targeting mutant huntingtin protein and uses thereof HTT, HYPK, UBQLN2 AURKA 3376/4885PRKCD 2886/4885CHEK1 1824/4885
US-20200276176-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF HTT, HYPK, UBQLN2 AURKA 3376/4885PRKCD 2886/4885CHEK1 1824/4885
US-20220409600-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF HTT, HYPK, UBQLN2 AURKA 3376/4885PRKCD 2886/4885CHEK1 1824/4885

“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.