SCHEMBL2045328

SCHEMBL2045328

Brc1ccc(C2=NCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 11/20 0.57
CHRNA3 P32297 11/20 0.57
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
THRB P10828 1/20 0.48
CYP2C19 P33261 1/20 0.48
CHRNA7 P36544 2/20 0.40
PGR P06401 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL16098695 0.94 CHRNB4 (0.66) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL19253727 0.92 CHRNB4 (0.63) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL20310968 0.81 CHRNB4 (0.51) CHRNB4CHRNA3ALDH1A1CHRNA7NPC1
SCHEMBL24414772 0.78 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL4693339 0.78 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL15665457 0.78 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL23992276 0.78 ALDH1A1 (0.53) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL206365 0.77 CHRNB4 (0.50) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL165812 0.77 CHRNB4 (0.87) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL2807123 0.76 CHRNB4 (0.90) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2025-04-10 US disclosed
WO-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
US-20230331739-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-19 US disclosed
US-20230331739-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-19 US disclosed
EP-4190790-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2023-06-07 EP disclosed
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) MEDIVATION TECHNOLOGIES LLC (US) 2022-06-21 US disclosed
EP-3919495-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-12-08 EP disclosed
CN-110938076-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
CN-112898308-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-06-04 CN disclosed
EP-3190113-B1 PYRROLOPYRIMIDINE COMPOUNDS USED AS TLR7 AGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-05-19 EP disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
US-20080193411-A1 Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-08-14 US disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008070447-A2 ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
CN-101168541-A Quinolone carboxylic acid derivatives, preparation method and medical use thereof PIAOYANG SUN (CN) 2008-04-30 CN disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 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 (6 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-20080193411-A1 Anti-viral Compounds ZC3HAV1, ZC3HAV1L, SARS1 CHRNB4 4826/4885CHRNA3 4732/4885ALDH1A1 1766/4885
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 CHRNB4 544/4885CHRNA3 241/4885ALDH1A1 2155/4885
US-20250115581-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS CKS1B, CSNK1A1, CKS2 CHRNB4 4070/4885CHRNA3 3098/4885ALDH1A1 539/4885
US-11364241-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) PARP1, PARP2, PARP11 CHRNB4 4565/4885CHRNA3 4195/4885ALDH1A1 326/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 CHRNB4 4614/4885CHRNA3 3883/4885ALDH1A1 61/4885
US-20230331739-A1 INDOLO HEPTAMYL OXIME ANALOG CRYSTAL AS PARP INHIBITOR AND METHOD FOR PREPARING SAME PARP1, PARP2, PARP8 CHRNB4 3202/4885CHRNA3 3011/4885ALDH1A1 1036/4885

“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.