SCHEMBL24857504

SCHEMBL24857504

OB(O)c1cccn2cc(C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
NPC1 O15118 4/20 0.33
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 3/20 0.33
TP53 P04637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HDAC4 P56524 2/20 0.32
SCN5A Q14524 1/20 0.32
GAA P10253 1/20 0.32
HCRTR2 O43614 2/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL7991828 0.79 JAK2 (0.40) PIK3R1PIK3CANPC1ALDH1A1RAB9A
SCHEMBL20713184 0.79 NPC1 (0.53) NPC1ALDH1A1RAB9AKDM4ETP53
SCHEMBL1892615 0.77 USP7 (0.38) PIK3R1PIK3CANPC1ALDH1A1RAB9A
SCHEMBL24424563 0.77 SCN5A (0.35) PIK3R1PIK3CANPC1ALDH1A1RAB9A
SCHEMBL24857447 0.76 CA2 (0.34) PIK3R1PIK3CANPC1ALDH1A1RAB9A
SCHEMBL2173235 0.76 MAT2A (0.38) PIK3R1PIK3CANPC1ALDH1A1RAB9A
SCHEMBL2171161 0.76 DHFR (0.44) PIK3R1PIK3CANPC1ALDH1A1RAB9A
SCHEMBL2317584 0.75 LMNA (0.33) PIK3R1PIK3CANPC1ALDH1A1RAB9A
SCHEMBL2171037 0.75 PDE4B (0.42) NPC1ALDH1A1RAB9AKDM4ETP53
SCHEMBL2317617 0.75 ALDH1A3 (0.33) PIK3R1PIK3CANPC1ALDH1A1RAB9A

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-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2023-01-05 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-20230002414-A1 AZAHETEROARYL COMPOUND AND APPLICATION THEREOF EZH2, EED, SUZ12 PIK3R1 1443/4885PIK3CA 3259/4885NPC1 1194/4885

“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.