SCHEMBL24477299

SCHEMBL24477299

Cc1cc(C)n2ncc(C(=O)NCc3ccc(-c4ccco4)cc3)c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
KDM4E B2RXH2 8/20 0.71
HPGD P15428 6/20 0.71
CYP1A1 P04798 1/20 0.68
HSD17B10 Q99714 2/20 0.63
USP2 O75604 2/20 0.56
TSHR P16473 2/20 0.56
ADORA3 P0DMS8 7/20 0.54
ADORA2A P29274 7/20 0.54
ADORA1 P30542 6/20 0.53
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
CASP1 P29466 1/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL24477300 0.91 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDCYP1A1HSD17B10
SCHEMBL24477482 0.86 PDPK1 (0.54) ALDH1A1KDM4EHPGDCYP1A1HSD17B10
SCHEMBL17739834 0.85 GBA1 (0.63) ALDH1A1KDM4EHPGDCYP1A1HSD17B10
SCHEMBL9926547 0.84 KDM4E (0.69) ALDH1A1KDM4EHPGDCYP1A1HSD17B10
SCHEMBL24477290 0.83 ADORA3 (0.50) ALDH1A1KDM4EHPGDCYP1A1HSD17B10
SCHEMBL9901617 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDCYP1A1HSD17B10
SCHEMBL24477293 0.83 APOBEC3A (0.50) ALDH1A1KDM4EHPGDCYP1A1HSD17B10
SCHEMBL22472811 0.80 APOBEC3A (0.47) ALDH1A1KDM4EHPGDCYP1A1ADORA3
SCHEMBL24477289 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDCYP1A1HSD17B10
SCHEMBL22472753 0.79 APOBEC3A (0.46) ALDH1A1KDM4EHPGDCYP1A1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169652-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. 2022-06-02 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 (1 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-20220169652-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS PARK7, PNP, GAA ALDH1A1 1213/4885KDM4E 899/4885HPGD 1396/4885

“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.