SCHEMBL6451992

SCHEMBL6451992

Cc1cccc(-c2n[nH]c(-c3cccc4ccccc34)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPC1 O15118 2/20 0.42
ALPL P05186 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
METAP2 P50579 1/20 0.42
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
TGFBR1 P36897 6/20 0.41
MAPK14 Q16539 3/20 0.41
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39

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
SCHEMBL6450049 0.83 NR1H2 (0.60) KDM4ECYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6461216 0.83 NPC1 (0.60) KDM4ECYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6452524 0.83 DCUN1D1 (0.50) CYP1A2CYP3A4CYP2C19NPC1ALPL
SCHEMBL6453486 0.83 ADORA2A (0.60) KDM4ECYP1A2CYP3A4CYP2C19NPC1
SCHEMBL13377809 0.81 CCR1 (0.54) KDM4ENPC1ALPLRAB9ASMN1; SMN2
SCHEMBL6454147 0.81 MEN1 (0.41) KDM4ECYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6448592 0.81 SMN1; SMN2 (0.67) KDM4ECYP1A2CYP3A4CYP2C19NPC1
SCHEMBL12270088 0.78 CCR1 (0.58) KDM4EHSD17B10METAP2CCR1CCR8
SCHEMBL17279723 0.77 NR1H2 (0.64) KDM4ECYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6451138 0.75 KDM4E (0.47) KDM4ECYP3A4NPC1ALPLRAB9A

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC KDM4E 3106/4885CYP1A2 47/4885CYP3A4 31/4885

“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.