SCHEMBL2361452

SCHEMBL2361452

O=c1[nH]c2ccccc2nc1C1=CCCC=C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
HSD17B10 Q99714 3/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PLAUR Q03405 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1D P48730 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL1902269 0.72 RAB9A (0.69) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL29820118 0.72 RAB9A (1.00) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL1901480 0.72 RAB9A (1.00) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL19566145 0.71 TNKS (0.56) KDM4ERAB9ANPC1HSD17B10LMNA
SCHEMBL19932188 0.71 ALDH1A1 (0.37) KDM4ERAB9AHSD17B10MEN1KMT2A
SCHEMBL5176637 0.69 KMT2A (0.37) KDM4ERAB9ANPC1HSD17B10LMNA
SCHEMBL29101820 0.68 KDM4E (0.78) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL30637057 0.68 KDM4E (0.78) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL6842214 0.68 KDM4E (0.54) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL31448344 0.67 KDM4E (1.00) KDM4ERAB9ANPC1HSD17B10CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-15 US disclosed
WO-2011103460-A1 FUSED TETRACYCLIC PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]ONDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 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-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C KDM4E 1395/4885RAB9A 1121/4885NPC1 2508/4885

“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.