SCHEMBL502104

SCHEMBL502104

CC(C)(C)Cc1cnc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
FDPS P14324 1/20 0.52
HRH3 Q9Y5N1 13/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HRH4 Q9H3N8 8/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
LMNA P02545 2/20 0.48
HRH2 P25021 2/20 0.48
MIF P14174 1/20 0.48

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
SCHEMBL25460713 0.83 FDPS (0.49) PKMFDPSHRH3KDM4EPOLB
SCHEMBL22601646 0.78 FDPS (0.45) PKMFDPSHRH3KDM4EPOLB
SCHEMBL28813959 0.77 PKM (0.52) PKMFDPSHRH3KDM4EPOLB
SCHEMBL26437620 0.75 HRH3 (0.58) PKMFDPSHRH3HRH4
SCHEMBL226696 0.75 TAAR1 (0.51) HRH3HRH4
SCHEMBL5692256 0.75 FDPS (0.54) PKMFDPSHRH3KDM4EPOLB
SCHEMBL2264740 0.74 ARG1 (0.53) PKMFDPSHRH3KDM4EPOLB
SCHEMBL233717 0.73
SCHEMBL128969 0.73
SCHEMBL23983601 0.73 HRH3 (0.54) HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12037415-B2 Peptide and pharmaceutical composition for treating an eye disease comprising the same as an active pharmaceutical ingredient YUYU PHARMA, INC. (KR) 2024-07-16 US disclosed
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC (US) 2024-07-04 US disclosed
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC (US) 2024-07-04 US disclosed
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof SEAGEN INC. (US) 2024-01-02 US disclosed
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof SEAGEN INC. (US) 2024-01-02 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-20230321100-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-10-12 US disclosed
US-20230312648-A1 PEPTIDES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING EYE DISEASES YUYU PHARMA, INC. (KR) 2023-10-05 US disclosed
EP-2091937-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-26 EP disclosed
EP-2083822-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
US-7524850-B2 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; serine/threonine protein kinase; antiproliferative MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
WO-2008051406-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2008051404-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-20080009504-A1 Antifungal agents SCYNEXIS, INC. 2008-01-10 US disclosed
US-20070142388-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20070042988-A1 Antiviral phosphoramidates ROCHE PALO ALTO LLC 2007-02-22 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 (11 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-20070042988-A1 Antiviral phosphoramidates RPP30, RNASE1, ADORA2B PKM 2151/4885FDPS 1363/4885HRH3 664/4885
US-20230312648-A1 PEPTIDES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING EYE DISEASES VIP, IAPP, SCTR PKM 3811/4885FDPS 3442/4885HRH3 1809/4885
US-20080009504-A1 Antifungal agents DPM1, MAN2B1, MAN2A1 PKM 1342/4885FDPS 48/4885HRH3 4313/4885
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof MSN, AURKA, AURKC PKM 4026/4885FDPS 3951/4885HRH3 1183/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 PKM 928/4885FDPS 1426/4885HRH3 3018/4885
US-12037415-B2 Peptide and pharmaceutical composition for treating an eye disease comprising the same as an active pharmaceutical ingredient VIP, IAPP, NGLY1 PKM 3241/4885FDPS 3547/4885HRH3 2483/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 PKM 2019/4885FDPS 1081/4885HRH3 862/4885
US-20230321100-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE ENTPD5, ENTPD1, NT5E PKM 3098/4885FDPS 755/4885HRH3 2251/4885
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC PKM 4026/4885FDPS 3951/4885HRH3 1183/4885
US-20070142388-A1 Inhibitors of Akt activity AKT2, AKT1, AKT3 PKM 1090/4885FDPS 1811/4885HRH3 4096/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 PKM 4005/4885FDPS 4360/4885HRH3 1870/4885

“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.