SCHEMBL890080

SCHEMBL890080

Cc1ccc2nc(C(C)C)[nH]c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.75
ALDH1A1 P00352 3/20 0.72
HPGD P15428 2/20 0.72
USP2 O75604 1/20 0.72
HTT P42858 1/20 0.72
KDM4E B2RXH2 2/20 0.64
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 2/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
PIN1 Q13526 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.49
ALOX15 P16050 1/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 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
SCHEMBL2756747 0.86 CYP1A2 (0.58) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL18653030 0.86 CYP1A2 (0.71) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL2757079 0.85 KDM4E (0.59) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL9867054 0.84 ALDH1A1 (1.00) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL26427165 0.83 CYP1A2 (0.67) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL23742763 0.82 CYP1A2 (0.65) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL798790 0.81 SCN10A (0.69) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL11317563 0.80 CYP1A2 (0.68) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL7708721 0.80 CYP1A2 (0.63) CYP1A2ALDH1A1HPGDUSP2HTT
SCHEMBL21676250 0.80 CYP1A2 (0.51) CYP1A2ALDH1A1HPGDUSP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113891885-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-05-10 CN disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 US disclosed
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-27 US disclosed
WO-2021195481-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-09-30 WO disclosed
WO-2021049843-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-03-18 WO disclosed
WO-2021049843-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-03-18 WO disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 US disclosed
US-7691885-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-7638530-B2 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents MERCK & CO., INC. (US) 2009-12-29 US disclosed
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7265129-B2 Anti-infective biaryl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
US-20070155794-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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-20230234950-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 CYP1A2 4670/4885ALDH1A1 4145/4885HPGD 4747/4885
US-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP1A2 2958/4885ALDH1A1 2858/4885HPGD 3586/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 CYP1A2 2414/4885ALDH1A1 2716/4885HPGD 2003/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CYP1A2 3870/4885ALDH1A1 4541/4885HPGD 2503/4885
US-20230130598-A1 PYRROLOPYRIDINE AND IMIDAZOPYRIDINE ANTIVIRAL COMPOUNDS SARS1, TPI1, TPMT CYP1A2 452/4885ALDH1A1 1430/4885HPGD 3637/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP1A2 603/4885ALDH1A1 2353/4885HPGD 2279/4885
US-20080090816-A1 ANTI-INFECTIVE BIARYL COMPOUNDS QTRT1, Q6ZSR9, QTRT2 CYP1A2 57/4885ALDH1A1 2229/4885HPGD 4306/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 CYP1A2 4769/4885ALDH1A1 4626/4885HPGD 1517/4885
US-20070155794-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 CYP1A2 2143/4885ALDH1A1 3432/4885HPGD 1082/4885

“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.