SCHEMBL73475

SCHEMBL73475

CC(C)(C)Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
FDPS P14324 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.46
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KIF11 P52732 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL11923156 0.86 KIF11 (0.54) ESR1CYP3A4CYP2D6CYP17A1CYP19A1
SCHEMBL24630680 0.82 ESR1 (0.38) ESR1FDPSLOXL2CYP3A4ALDH1A1
SCHEMBL10034521 0.81 ESR1 (0.45) ESR1CYP3A4ALDH1A1RAB9ATHRA
SCHEMBL6205695 0.80 SLC6A2 (0.60) FDPSLOXL2CYP3A4ALDH1A1CYP2D6
SCHEMBL3236715 0.80 FDPS (0.53) ESR1FDPSLOXL2CYP3A4ALDH1A1
SCHEMBL8843066 0.80 CYP3A4 (0.46) FDPSLOXL2CYP3A4ALDH1A1CYP2D6
SCHEMBL28811776 0.80 FDPS (0.44) FDPSLOXL2CYP3A4ALDH1A1CYP2D6
SCHEMBL6685103 0.80 ESR1 (0.74) ESR1CYP3A4ALDH1A1CYP2D6THRA
SCHEMBL8362815 0.78 BRS3 (0.45) FDPSLOXL2CYP3A4ALDH1A1CYP2D6
SCHEMBL13715390 0.78 LOXL2 (0.43) FDPSLOXL2CYP3A4ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896678-A Method for preparing 2-chloro-4-neopentyl pyridine 上海凌凯医药科技有限公司 2022-01-07 CN claimed
CN-112279804-A Method for preparing 2-chloro-4-neopentyl pyridine 上海凌凯医药科技有限公司 2021-01-29 CN claimed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-11820835-B2 Cyclic tetrapeptide analogs UNIVERSITY OF KANSAS (US) 2023-11-21 US disclosed
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-11-09 US disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
EP-1718297-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005070042-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 WO disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
EP-0910568-A4 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION UNIV PRINCETON (US) 2002-04-24 EP disclosed
EP-0910568-A1 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION PRINCETON UNIVERSITY (US) 1999-04-28 EP disclosed
WO-1997034906-A1 SULFINYL HEXOSE DERIVATIVES USEFUL FOR GLYCOSYLATION PRINCETON UNIVERSITY (US) 1997-09-25 WO disclosed
EP-0528485-A1 17Beta-acyl-3-androsta-3,5-dienes as testosterone 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1993-02-24 EP disclosed
EP-0465142-A1 17Beta-acyl-3-carboxy-androsta-3, 5-dienes as testosterone 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1992-01-08 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 (8 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-20230399297-A1 Novel Glutamine Analogs GLUL, GATD3, GLS ESR1 3472/4885FDPS 600/4885LOXL2 3955/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 ESR1 4773/4885FDPS 1060/4885LOXL2 4780/4885
US-11820835-B2 Cyclic tetrapeptide analogs CALCA, VIP, OPRL1 ESR1 4552/4885FDPS 1249/4885LOXL2 2555/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 ESR1 4821/4885FDPS 1717/4885LOXL2 4142/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 ESR1 2994/4885FDPS 613/4885LOXL2 592/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 ESR1 2085/4885FDPS 2360/4885LOXL2 1052/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 ESR1 767/4885FDPS 4360/4885LOXL2 2605/4885
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF FLT3, ABL1, MCL1 ESR1 4404/4885FDPS 2615/4885LOXL2 4134/4885

“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.