SCHEMBL25413619

SCHEMBL25413619

COc1ccc(CN2C(=O)c3nc(CNC=O)cc(NCc4ccc(OC)cc4OC)c3C2c2cc(F)ccc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.35
P2RX3 P56373 1/20 0.35
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL25412445 0.91 P2RX7 (0.36) P2RX7P2RX3MAPTTP53CYP1A2
SCHEMBL25411495 0.89 P2RX7 (0.38) P2RX7P2RX3MAPTTP53CYP1A2
SCHEMBL25410665 0.86 P2RX7 (0.36) P2RX7P2RX3MAPTCYP1A2CYP3A4
SCHEMBL25409041 0.86 P2RX7 (0.36) P2RX7P2RX3MAPTTP53CYP1A2
SCHEMBL26312738 0.84 CYP1A2 (0.40) P2RX7P2RX3MAPTTP53CYP1A2
SCHEMBL30305525 0.84 CYP1A2 (0.40) P2RX7P2RX3MAPTTP53CYP1A2
SCHEMBL30451183 0.84 TSHR (0.39) P2RX7MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL30305424 0.80 TGFBR1 (0.37) P2RX7P2RX3CYP1A2CYP3A4TSHR
SCHEMBL23985112 0.80 TGFBR1 (0.37) P2RX7P2RX3CYP1A2CYP3A4TSHR
SCHEMBL30855840 0.76 CYP1A2 (0.39) P2RX3MAPTTP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171444-A1 PI3Ka INHIBITORS PIKAVATION THERAPEUTICS, INC. 2025-05-29 US disclosed
WO-2023168378-A1 PI3KA INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
WO-2023168378-A1 PI3KA INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-09-07 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 (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-20250171444-A1 PI3Ka INHIBITORS PIK3CA, PIK3C2A, PIK3R5 P2RX7 3269/4885P2RX3 3141/4885MAPT 2549/4885

“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.