SCHEMBL24033865

SCHEMBL24033865

COc1ccc(Cn2nnnc2CC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
PKM P14618 1/20 0.59
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.51
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE8B O95263 1/20 0.45
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL6501472 0.89 ALDH1A1 (0.59) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL3735937 0.83 ALDH1A1 (0.64) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL7148471 0.81 ALDH1A1 (0.62) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL25218986 0.81 ALDH1A1 (0.62) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL4784872 0.81 CYP11B1 (0.54) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL1783911 0.80 ALDH1A1 (0.61) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL15796737 0.80 ALDH1A1 (0.52) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL6582001 0.78 ERCC5 (0.65) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL11063190 0.78 ERCC5 (0.62) ALDH1A1PKMALOX15TSHRGAA
SCHEMBL15796733 0.77 ALDH1A1 (0.58) ALDH1A1PKMALOX15TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295135-A1 CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF ALGEN BIOTECHNOLOGIES, INC. 2023-09-21 US disclosed
US-20230295135-A1 CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF ALGEN BIOTECHNOLOGIES, INC. 2023-09-21 US disclosed
CN-116261561-A Certain chemical compositions and methods of use thereof 奧基生物技术有限公司 2023-06-13 CN disclosed
US-11591322-B2 Certain chemical compositions and methods of use thereof ALGEN BIOTECHNOLOGIES, INC. (US) 2023-02-28 US disclosed
WO-2021231892-A1 CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF ALGEN BIOTECHNOLOGIES, INC. (US) 2021-11-18 WO 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-11591322-B2 Certain chemical compositions and methods of use thereof CDK9, CDK19, CDK6 ALDH1A1 1530/4885PKM 581/4885ALOX15 3901/4885
US-20230295135-A1 CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF CDK9, CDK19, CDK6 ALDH1A1 1530/4885PKM 581/4885ALOX15 3901/4885

“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.