SCHEMBL4704685

SCHEMBL4704685

CC(C)(C)C1CCc2nc3sc(C#N)c(N)c3cc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.61
KDM4E B2RXH2 11/20 0.61
ALDH1A1 P00352 9/20 0.61
LMNA P02545 2/20 0.61
RORC P51449 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
XBP1 P17861 1/20 0.42
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.35

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
SCHEMBL22690991 1.00 MAPT (0.61) MAPTKDM4EALDH1A1LMNARORC
SCHEMBL13154843 0.93 KDM4E (0.65) MAPTKDM4EALDH1A1LMNARORC
SCHEMBL13154827 0.89 MAPT (0.46) MAPTKDM4EALDH1A1LMNARORC
SCHEMBL5996852 0.86 MAPT (0.44) MAPTKDM4EALDH1A1LMNARORC
SCHEMBL5996088 0.86 ALDH1A1 (0.44) MAPTKDM4EALDH1A1LMNARORC
SCHEMBL13670442 0.85 MAPT (0.65) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13954541 0.84 RORC (0.46) MAPTKDM4EALDH1A1LMNARORC
SCHEMBL5997173 0.82 MAPT (0.61) MAPTKDM4EALDH1A1LMNARORC
SCHEMBL4703109 0.81 KDM4E (0.56) MAPTKDM4EALDH1A1LMNARORC
SCHEMBL5996876 0.79 RORC (0.48) MAPTKDM4EALDH1A1LMNARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12440496-B2 Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes MERCK SHARP & DOHME LLC (US) 2025-10-14 US disclosed
US-20220273669-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP DOHME CORP. (US) 2022-09-01 US disclosed
EP-3972590-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-7608643-B2 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION (US) 2009-10-27 US disclosed
US-7608643-B2 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION (US) 2009-10-27 US disclosed
WO-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 WO disclosed
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060281778-A1 Compounds for inhibiting KSP Kinesin activity SCHERING CORPORATION 2006-12-14 US disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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-20060281778-A1 Compounds for inhibiting KSP Kinesin activity KIFC1, KIF5B, KIF2C MAPT 434/4885KDM4E 501/4885ALDH1A1 2371/4885
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB MAPT 1628/4885KDM4E 1345/4885ALDH1A1 2905/4885
US-12440496-B2 Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes NPR1, NPPA, NPR3 MAPT 4803/4885KDM4E 3367/4885ALDH1A1 2115/4885
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C MAPT 434/4885KDM4E 501/4885ALDH1A1 2371/4885
US-20220273669-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES NPR1, NPPA, NPR3 MAPT 4796/4885KDM4E 3469/4885ALDH1A1 2309/4885

“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.