SCHEMBL30656805

SCHEMBL30656805

Nc1ccc2ncn(CCN3CCOCC3)c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.56
TNF P01375 1/20 0.52
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
KDM4E B2RXH2 10/20 0.48
HSD17B10 Q99714 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP13 P45452 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
RCE1 Q9Y256 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL24166881 1.00 ACVR1 (0.56) ACVR1TNFAURKAAURKBKDM4E
SCHEMBL24166797 0.94 ACVR1 (0.64) ACVR1TNFAURKAAURKBKDM4E
SCHEMBL30656798 0.94 ACVR1 (0.64) ACVR1TNFAURKAAURKBKDM4E
SCHEMBL24166800 0.89 TNF (0.53) ACVR1TNFAURKAAURKBKDM4E
SCHEMBL30656804 0.89 TNF (0.53) ACVR1TNFAURKAAURKBKDM4E
SCHEMBL28358511 0.85 ACVR1 (0.56) ACVR1AURKAAURKBKDM4EHSD17B10
SCHEMBL29723989 0.85 ACVR1 (0.56) ACVR1AURKAAURKBKDM4EHSD17B10
SCHEMBL29724011 0.85 ACVR1 (0.59) ACVR1AURKAAURKBKDM4EHSD17B10
SCHEMBL28628074 0.83 AURKA (0.57) ACVR1AURKAAURKBKDM4EHSD17B10
SCHEMBL30669823 0.83 AURKA (0.57) ACVR1AURKAAURKBKDM4EHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2026-01-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ACVR1 4197/4885TNF 4408/4885AURKA 4407/4885
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof ATG7, GOT1, ULK1 ACVR1 4402/4885TNF 4482/4885AURKA 4574/4885

“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.