SCHEMBL15134178

SCHEMBL15134178

Cc1nnc(-c2ccc(Cl)nc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PIK3CD O00329 1/20 0.43
NOTUM Q6P988 1/20 0.41
CYP2A6 P11509 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 3/20 0.36
PDE10A Q9Y233 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA3 P32297 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL15133020 0.78 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4EPIK3CD
SCHEMBL415765 0.77 MAPK1 (0.47) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL16660942 0.75 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4EPIK3CD
SCHEMBL418276 0.73 HRH1 (0.49) NPC1RAB9AALDH1A1KDM4ENOTUM
SCHEMBL417139 0.72 NISCH (0.45) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL16661271 0.72 NPC1 (0.51) NPC1RAB9AALDH1A1KDM4EPIK3CD
SCHEMBL31295450 0.71 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4EPIK3CD
SCHEMBL1662273 0.71 PIK3CD (0.73) NPC1RAB9AALDH1A1KDM4EPIK3CD
SCHEMBL419320 0.70 RAB9A (0.44) NPC1RAB9AALDH1A1KDM4ENOTUM
SCHEMBL823787 0.69 MAPK13 (0.43) NPC1RAB9AALDH1A1

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-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 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-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NPC1 3655/4885RAB9A 1564/4885ALDH1A1 1558/4885

“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.