SCHEMBL25113003

SCHEMBL25113003

COc1ccc2ncc(Br)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
CSF1R P07333 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36

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
SCHEMBL3232934 0.86 L3MBTL1 (0.47) EGFRL3MBTL1PDGFRBPDGFRAHTT
SCHEMBL622678 0.80 PDGFRB (0.48) EGFRL3MBTL1PDGFRBPDGFRAHTT
SCHEMBL15942810 0.80 CYP1A2 (0.44) PDGFRBPDGFRAHTTNPSR1NPC1
SCHEMBL15885592 0.80 CSF1R (0.53) PDGFRBPDGFRAHTTNPSR1NPC1
SCHEMBL17244314 0.79 PDGFRB (0.40) EGFRPDGFRBPDGFRAHTTNPSR1
SCHEMBL2493324 0.79 PDGFRB (0.40) L3MBTL1PDGFRBPDGFRAHTTNPSR1
SCHEMBL622192 0.79 PIK3CA (0.42) EGFRPDGFRBPDGFRAHTTNPSR1
SCHEMBL622358 0.79 HPGD (0.41) PDGFRBPDGFRAHTTNPSR1NPC1
SCHEMBL622060 0.79 PDGFRB (0.40) EGFRPDGFRBPDGFRAHTTNPSR1
SCHEMBL13552130 0.76 HTT (0.41) PDGFRBPDGFRAHTTNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
CN-116528857-A MALT-1 modulators 艾克斯赛安西娅人工智能有限公司 2023-08-01 CN disclosed
WO-2023036217-A1 ACRYLAMIDE COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2023-03-16 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-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 EGFR 3963/4885L3MBTL1 2696/4885PDGFRB 3660/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 EGFR 3499/4885L3MBTL1 1276/4885PDGFRB 2885/4885

“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.