SCHEMBL25909689

SCHEMBL25909689

COc1ccccc1-c1ccc2nc(N)sc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 1/20 0.46
PTPN1 P18031 1/20 0.45
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45
ADORA1 P30542 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 2/20 0.43
APP P05067 1/20 0.42

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
SCHEMBL24071164 0.81 PTPN1 (0.42) ABL1ALDH1A1KDM4EPTPN1ATP4A
SCHEMBL30526610 0.78 CYP1A1 (0.43) ABL1ADORA1CYP3A4ADORA2AAPP
SCHEMBL23720038 0.77 CYP3A4 (0.43) ALDH1A1KDM4EATP4AATP4BSMN1; SMN2
SCHEMBL25909688 0.74 PIK3CA (0.34) ABL1ALDH1A1KDM4EADORA1SMN1; SMN2
SCHEMBL24071100 0.74 MPL (0.45) ALDH1A1PTPN1HPGDMEN1NPC1
SCHEMBL31347459 0.73 PI4KA (0.60) ABL1ADORA1CYP3A4
SCHEMBL234658 0.72 ALDH1A1 (0.63) ALDH1A1KDM4EHSP90AA1HSP90AB1ATP4A
SCHEMBL29796690 0.72 ALDH1A1 (0.63) ALDH1A1KDM4EHSP90AA1HSP90AB1ATP4A
SCHEMBL184747 0.72 PIK3CD (0.50) ALDH1A1SMN1; SMN2CYP3A4TDP1NPC1
SCHEMBL30189832 0.72 PIK3CD (0.50) ALDH1A1SMN1; SMN2CYP3A4TDP1NPC1

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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 ABL1 950/4885ALDH1A1 799/4885KDM4E 1678/4885

“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.