SCHEMBL10154882

SCHEMBL10154882

Cc1cc(C)c2[nH]c3c(c2c1)C(=O)NCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
MAPKAPK2 P49137 4/20 0.43
MAPK9 P45984 2/20 0.39
CDC7 O00311 3/20 0.39
ABCB1 P08183 1/20 0.38
PARP1 P09874 1/20 0.38
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL15189299 0.81 DYRK1A (0.49) ABCB1PARP1MAPTALDH1A1KDM4E
SCHEMBL10154875 0.77 KDR (0.70) KDRMAPKAPK2PARP1ALOX12TDP1
SCHEMBL15189300 0.71 MAPT (0.37) ABCB1TDP1MAPTALDH1A1KDM4E
SCHEMBL10155120 0.71 SIRT2 (0.39) ABCB1PARP1MAPTALDH1A1HSD17B10
SCHEMBL7294516 0.71 CDC7 (0.52) KDRMAPKAPK2MAPK9CDC7PARP1
SCHEMBL10154880 0.69 NISCH (0.47) KDRMAPKAPK2MAPK9CDC7KDM4E
SCHEMBL29049545 0.67 KDR (0.40) KDRMAPKAPK2CDC7PARP1ALOX12
SCHEMBL619090 0.67 KDR (0.60) KDRPARP1ALDH1A1KDM4EHSD17B10
SCHEMBL10154866 0.66 KDR (0.66) KDRMAPKAPK2PARP1MAPTALDH1A1
SCHEMBL12351904 0.66 KDR (0.66) KDRPARP1MAPTALDH1A1KDM4E

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 5 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-9034865-B2 Pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-20130217675-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-22 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
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 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 (3 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC KDR 2394/4885MAPKAPK2 4413/4885MAPK9 3744/4885
US-20130210803-A1 FUSED TETRACYCLIC PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C KDR 3782/4885MAPKAPK2 2528/4885MAPK9 3656/4885
US-20130217675-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C KDR 4324/4885MAPKAPK2 1656/4885MAPK9 2774/4885

“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.