SCHEMBL10154866

SCHEMBL10154866

O=C1NCCCc2[nH]c3ccc(Br)cc3c21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.66
HSD17B10 Q99714 1/20 0.56
MAPT P10636 3/20 0.54
PARP1 P09874 2/20 0.49
MAP3K14 Q99558 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
PRKD1 Q15139 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP11 Q9NR21 1/20 0.41
HPGD P15428 1/20 0.41
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL1004259 0.89 KDR (0.55) KDRHSD17B10MAPTPARP1PRKD1
SCHEMBL10154870 0.83 KDR (0.66) KDRPARP1ALDH1A1PRKD1HTR2A
SCHEMBL10154875 0.83 KDR (0.70) KDRHSD17B10MAPTPARP1LMNA
SCHEMBL12351904 0.83 KDR (0.66) KDRMAPTPARP1MAP3K14LMNA
SCHEMBL1612144 0.81 HSD17B10 (0.64) KDRHSD17B10MAPTPARP1MAP3K14
SCHEMBL4025232 0.81 MAPT (0.62) KDRHSD17B10MAPTPARP1MAP3K14
SCHEMBL619090 0.79 KDR (0.60) KDRHSD17B10PARP1ALDH1A1PRKD1
SCHEMBL10154871 0.79 KDR (0.60) KDRMAP3K14MAPK1PRKD1MAPKAPK2
SCHEMBL10154864 0.77 KDR (0.58) KDRMAP3K14PRKD1MAPKAPK2
SCHEMBL10154873 0.76 KDR (0.57) KDRMAPTLMNAALDH1A1MAPKAPK2

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-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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC KDR 2394/4885HSD17B10 1008/4885MAPT 4749/4885

“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.