SCHEMBL6452679

SCHEMBL6452679

Cc1cccnc1-c1nc(-c2ccccc2O)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
KDM4A O75164 4/20 0.43
TDP2 O95551 2/20 0.40
CYP19A1 P11511 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM6B O15054 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
KDM5A P29375 1/20 0.38
BLVRB P30043 1/20 0.38

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
SCHEMBL6453914 0.86 HSD17B2 (0.40) MAPTGAACYP19A1RAB9ANPC1
SCHEMBL6454166 0.84 CYP19A1 (0.42) CYP19A1NR1H2NR1H3HTTSMN1; SMN2
SCHEMBL6449813 0.84 KDM4E (0.41) MAPTGAARAB9ANPC1KMT2A
SCHEMBL6456605 0.84 CASP6 (0.38) NPC1HTTCASP6
SCHEMBL6451328 0.83 IDH1 (0.47) MAPTGAACYP19A1RAB9ANPC1
SCHEMBL6449658 0.82 CYP19A1 (0.46) GAACYP19A1NPC1KDM4EHPGD
SCHEMBL6449566 0.81 ADORA3 (0.37) MAPTTDP2RAB9ANPC1NR1H2
SCHEMBL6449876 0.81 CYP3A4 (0.44) MAPTRAB9ANPC1NPSR1KMT2A
SCHEMBL6459175 0.81 KDM4A (0.52) MAPTGAAKDM4ATDP2CYP19A1
SCHEMBL6452417 0.80 KDM4E (0.39) MAPTGAACYP19A1RAB9ANPC1

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 MAPT 2805/4885GAA 519/4885KDM4A 2523/4885

“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.