SCHEMBL26035678

SCHEMBL26035678

Bc1nc2cccc(C)c2nc1B

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
NQO2 P16083 3/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.38
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 2/20 0.36
ELANE P08246 2/20 0.36
PRMT5 O14744 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL31643056 0.85 RAB9A (0.53) RAB9AMAPTMAPK1NQO2NPC1
SCHEMBL20475325 0.85 RAB9A (0.53) RAB9AMAPTMAPK1NQO2NPC1
SCHEMBL183009 0.79 NQO2 (0.57) RAB9AMAPTMAPK1NQO2NPC1
SCHEMBL8604288 0.79 MAPT (0.52) RAB9AMAPTMAPK1NQO2NPC1
Bromide SCHEMBL11421481 0.77 NQO2 (0.55) RAB9AMAPTMAPK1NQO2NPC1
SCHEMBL10557250 0.76 ACHE (0.46) RAB9AMAPTMAPK1NQO2NPC1
SCHEMBL10371728 0.76 TDP1 (0.48) RAB9AMAPTMAPK1NQO2NPC1
SCHEMBL11399572 0.76 RAB9A (0.46) RAB9AMAPTMAPK1NQO2NPC1
SCHEMBL2423180 0.76 TDP1 (0.52) RAB9AMAPTMAPK1NQO2NPC1
SCHEMBL31399980 0.76 TDP1 (0.52) RAB9AMAPTMAPK1NQO2NPC1

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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 RAB9A 248/4885MAPT 4654/4885MAPK1 2220/4885

“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.