SCHEMBL767633

SCHEMBL767633

CC(C)(C)CCn1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.56
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
FDPS P14324 1/20 0.53
EGLN3 Q9H6Z9 1/20 0.47
PRKCI P41743 1/20 0.46
QPCT Q16769 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
IDH1 O75874 1/20 0.44

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
SCHEMBL2600052 0.88 TBXAS1 (0.63) TBXAS1PRKCIQPCTMEN1POLB
SCHEMBL12437179 0.86 TBXAS1 (0.67) TBXAS1PRKCIQPCTMEN1POLB
SCHEMBL16482856 0.84 TBXAS1 (0.48) TBXAS1CYP11B1CYP11B2FDPSEGLN3
SCHEMBL17523766 0.84 TBXAS1 (0.70) TBXAS1PRKCIQPCTMEN1KMT2A
SCHEMBL17523781 0.84 TBXAS1 (0.70) TBXAS1PRKCIQPCTMEN1KMT2A
SCHEMBL10226327 0.84 TBXAS1 (0.70) TBXAS1PRKCIQPCTMEN1KMT2A
SCHEMBL17042866 0.83 TBXAS1 (0.52) TBXAS1CYP11B1CYP11B2FDPSEGLN3
SCHEMBL15183727 0.80 TBXAS1 (0.46) TBXAS1FDPSEGLN3QPCT
SCHEMBL15183725 0.80 TBXAS1 (0.46) TBXAS1FDPSEGLN3QPCT
SCHEMBL4773938 0.78 TBXAS1 (0.75) TBXAS1CYP11B1CYP11B2FDPSEGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-09-14 US disclosed
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-09-14 US disclosed
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof Regeneran Pharmaceuticals, Inc. (US) 2023-06-06 US disclosed
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof Regeneran Pharmaceuticals, Inc. (US) 2023-06-06 US disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE ARGENTA DISCOVERY 2009 LIMITED (GB) 2011-05-26 US disclosed
US-7863465-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2011-01-04 US disclosed
US-7863465-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2011-01-04 US disclosed
US-20100056530-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-03-04 US disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20080009504-A1 Antifungal agents SCYNEXIS, INC. 2008-01-10 US disclosed
US-20080009504-A1 Antifungal agents SCYNEXIS, INC. 2008-01-10 US disclosed
US-7163939-B2 Macrocyclic kinase inhibitors ABBOTT LABORATORIES (US) 2007-01-16 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 (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-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC TBXAS1 965/4885CYP11B1 229/4885CYP11B2 532/4885
US-20080009504-A1 Antifungal agents DPM1, MAN2B1, MAN2A1 TBXAS1 210/4885CYP11B1 1019/4885CYP11B2 1752/4885
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 TBXAS1 532/4885CYP11B1 3147/4885CYP11B2 3804/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 TBXAS1 3164/4885CYP11B1 2523/4885CYP11B2 3238/4885
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof ASGR1, CUTA, SRPRA TBXAS1 809/4885CYP11B1 4533/4885CYP11B2 4774/4885
US-20110124654-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B TBXAS1 1209/4885CYP11B1 2094/4885CYP11B2 2891/4885
US-20100056530-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 TBXAS1 898/4885CYP11B1 1863/4885CYP11B2 2230/4885
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA TBXAS1 809/4885CYP11B1 4533/4885CYP11B2 4774/4885
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG TBXAS1 1562/4885CYP11B1 323/4885CYP11B2 248/4885

“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.