SCHEMBL2678474

SCHEMBL2678474

CC(C)(C)c1nnc(N)o1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NOTUM Q6P988 2/20 0.32
DGAT1 O75907 1/20 0.30
PIK3CG P48736 1/20 0.30

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
Hydrazinecarboxamide SCHEMBL22471913 0.81 LMNA (0.38) KDM4ENPC1RAB9A
SCHEMBL25419135 0.80 KDM4E (0.37) KDM4ENPC1RAB9ANOTUM
SCHEMBL2616386 0.80 ELANE (0.31)
SCHEMBL4080491 0.73 KDM4E (0.33) KDM4ENPC1RAB9A
SCHEMBL9712934 0.72 KDM4E (0.33) KDM4ENPC1RAB9A
SCHEMBL272220 0.69
SCHEMBL13855693 0.69 NOTUM (0.38) NOTUM
SCHEMBL10202700 0.68 EPHX2 (0.38)
SCHEMBL21339904 0.68 CYP1A2 (0.30)
SCHEMBL17739747 0.68 CYP1A2 (0.30)

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091413-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2024-09-17 US disclosed
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 US disclosed
EP-4146348-B1 INHIBITORS OF NEK7 KINASE HALIA THERAPEUTICS INC (US) 2024-07-03 EP disclosed
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
US-20230416259-A1 INHIBITORS OF NEK7 KINASE HALIA THERAPEUTICS INC (US) 2023-12-28 US disclosed
US-20230277523-A1 METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2023-09-07 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
WO-2007047496-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-26 WO disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
EP-0378791-A2 3,4-Dimethyl-pyrrolidine derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-07-25 EP disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 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 (9 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 KDM4E 1783/4885NPC1 377/4885RAB9A 3215/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 KDM4E 1778/4885NPC1 414/4885RAB9A 2987/4885
US-12091413-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 KDM4E 1778/4885NPC1 414/4885RAB9A 2987/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 KDM4E 4052/4885NPC1 348/4885RAB9A 3477/4885
US-20230277523-A1 METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A3, SLC34A2, SLC34A1 KDM4E 2140/4885NPC1 220/4885RAB9A 1798/4885
US-12036292-B2 Heterobiaryl compounds and imaging agents for imaging huntingtin protein HTT, HYPK, ATXN2L KDM4E 4813/4885NPC1 536/4885RAB9A 535/4885
US-20230416259-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 KDM4E 1778/4885NPC1 414/4885RAB9A 2987/4885
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B KDM4E 3254/4885NPC1 450/4885RAB9A 4474/4885
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP3 KDM4E 4631/4885NPC1 352/4885RAB9A 1542/4885

“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.