SCHEMBL2401906

SCHEMBL2401906

Cc1cc(Br)cnc1N=CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HBB P68871 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
ALOX15 P16050 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12267661 1.00 L3MBTL1 (0.38) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL19760999 0.81 L3MBTL1 (0.36) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL22271023 0.81 PLAU (0.50) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL30450482 0.81 L3MBTL1 (0.36) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL31049459 0.81 ALDH1A1 (0.38) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL13017447 0.79 L3MBTL1 (0.38) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL5624489 0.74 CYP1A2 (0.38) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL5624486 0.74 CYP1A2 (0.38) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL21572724 0.74 HSD17B10 (0.37) L3MBTL1HTTMAPTMAPK1HSD17B10
SCHEMBL32662109 0.74 HSD17B10 (0.37) L3MBTL1HTTMAPTMAPK1HSD17B10

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-20110224438-A1 NOVEL PROCESS FOR THE MANUFACTURE OF 5-HALOGENATED-7-AZAINDOLES HOFFMANN-LA ROCHE, INC. 2011-09-15 US disclosed
WO-2011109932-A1 NOVEL PROCESS FOR THE MANUFACTURE OF 5-HALOGENATED-7-AZAINDOLES F.HOFFMANN-LA ROCHE AG (CH) 2011-09-15 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-20110224438-A1 NOVEL PROCESS FOR THE MANUFACTURE OF 5-HALOGENATED-7-AZAINDOLES AZI2, UGT2B7, CYP3A5 L3MBTL1 3681/4885HTT 2648/4885MAPT 4248/4885

“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.