SCHEMBL30945487

SCHEMBL30945487

Brc1cccc(-c2ncc3ccncc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP19A1 P11511 1/20 0.45
BIRC5 O15392 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.42
EGFR P00533 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.40
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
AHR P35869 1/20 0.38

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
SCHEMBL30288891 0.83 BIRC5 (0.59) NPC1RAB9ABIRC5MEN1KMT2A
SCHEMBL16218727 0.83 BIRC5 (0.59) NPC1RAB9ABIRC5MEN1KMT2A
SCHEMBL19879568 0.77 LATS1 (0.49)
SCHEMBL9979356 0.75 NPC1 (0.43) NPC1RAB9ACYP19A1BIRC5MEN1
Hydrochloric Acid SCHEMBL30749418 0.75 LATS1 (0.47)
SCHEMBL22715200 0.74 BIRC5 (0.39) NPC1RAB9ACYP19A1BIRC5MEN1
SCHEMBL22715455 0.74 ALDH1A1 (0.40) NPC1RAB9ACYP19A1BIRC5MEN1
SCHEMBL31463129 0.72 RAB9A (0.68) NPC1RAB9ACYP19A1BIRC5MEN1
SCHEMBL28154274 0.71 RAB9A (0.50) NPC1RAB9ABIRC5MEN1KMT2A
SCHEMBL30687002 0.71 RAB9A (0.50) NPC1RAB9ABIRC5MEN1KMT2A

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-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 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-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG NPC1 480/4885RAB9A 2368/4885CYP19A1 3883/4885

“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.