SCHEMBL6978731

SCHEMBL6978731

CC(C)c1nc(-c2ccccc2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.59
TSHR P16473 2/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NR1H4 Q96RI1 2/20 0.57
S1PR1 P21453 1/20 0.54
NOTUM Q6P988 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 2/20 0.51
NFKB1 P19838 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50

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
SCHEMBL10934713 0.85 SMN1; SMN2 (0.56) HTTSMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL30268662 0.85 SMN1; SMN2 (0.56) HTTSMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL11020935 0.85 SMN1; SMN2 (0.59) HTTSMN1; SMN2TSHRS1PR1NPC1
Hydrochloric Acid SCHEMBL29485503 0.84 SMN1; SMN2 (0.55) HTTSMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL12126068 0.83 HTT (0.51) HTTSMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL12188525 0.83 SMN1; SMN2 (0.57) HTTSMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL8592523 0.83 HTT (0.51) HTTSMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL9963719 0.82 S1PR1 (0.60) HTTSMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL21900753 0.82 SMN1; SMN2 (0.54) SMN1; SMN2TSHRMAPK1L3MBTL1NR1H4
SCHEMBL9963178 0.82 ALDH1A1 (0.66) SMN1; SMN2TSHRMAPK1NPC1NFKB1

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-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-11807633-B2 Chromene derivatives as inhibitors of TCR-Nck interaction ARTAX BIOPHARMA INC. (US) 2023-11-07 US disclosed
US-11807633-B2 Chromene derivatives as inhibitors of TCR-Nck interaction ARTAX BIOPHARMA INC. (US) 2023-11-07 US disclosed
EP-4248973-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 EP disclosed
EP-3877376-B1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS INC (US) 2023-08-23 EP disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
EP-3684357-B1 HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2022-12-28 EP disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
WO-2008097538-A1 THERAPEUTIC AGENTS MERCK & CO., INC. (US) 2008-08-14 WO disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 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-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD HTT 4730/4885SMN1; SMN2 3722/4885TSHR 4564/4885
US-11807633-B2 Chromene derivatives as inhibitors of TCR-Nck interaction NCK1, NCKAP1, NCKAP1L HTT 2927/4885SMN1; SMN2 2672/4885TSHR 2254/4885
US-11873290-B2 IL6, MUSK, IL6ST HTT 2657/4885SMN1; SMN2 7/4885TSHR 3809/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT HTT 4036/4885SMN1; SMN2 3562/4885TSHR 4807/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS HTT 4681/4885SMN1; SMN2 1579/4885TSHR 1353/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 HTT 3382/4885SMN1; SMN2 841/4885TSHR 2139/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 HTT 4721/4885SMN1; SMN2 4522/4885TSHR 2946/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 HTT 9/4885SMN1; SMN2 233/4885TSHR 4565/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A HTT 3021/4885SMN1; SMN2 9/4885TSHR 3552/4885

“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.