SCHEMBL29520558

SCHEMBL29520558

FC(F)(F)Cn1cnc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
BRD4 O60885 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP17A1 P05093 3/20 0.36
CYP1A2 P05177 1/20 0.36
FDPS P14324 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35

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
SCHEMBL25435222 1.00 NPC1 (0.46) NPC1RAB9AMAPTHSD17B10BRD4
SCHEMBL17678097 0.87 IDO1 (0.38) NPC1RAB9AMAPTHSD17B10BRD4
SCHEMBL12144994 0.84 NPC1 (0.44) NPC1RAB9AMAPTHSD17B10BRD4
SCHEMBL21991220 0.82 PRPS1 (0.43) NPC1RAB9AMAPTHSD17B10MEN1
SCHEMBL31202960 0.82 PRPS1 (0.43) NPC1RAB9AMAPTHSD17B10MEN1
SCHEMBL861938 0.81 NPC1 (0.63) NPC1RAB9AMAPTHSD17B10MEN1
SCHEMBL22101746 0.79 LMNA (0.45) RAB9AMAPTMEN1KMT2AHDAC1
SCHEMBL483804 0.79 MAPT (0.49) NPC1RAB9AMAPTHSD17B10BRD4
SCHEMBL17042129 0.77 NPC1 (0.43) NPC1RAB9AMAPTHSD17B10BRD4
SCHEMBL17152743 0.77 QPCT (0.58) NPC1RAB9ABRD4HDAC1SMN1; SMN2

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-20250134890-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2025-05-01 US disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 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-20250134890-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES G6PD, DPYD, DHFR NPC1 1954/4885RAB9A 3274/4885MAPT 2775/4885

“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.