SCHEMBL6450871

SCHEMBL6450871

c1ccc2c(-c3nc(-c4nccc5ccccc45)n[nH]3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
ALPL P05186 2/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 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
SCHEMBL6459671 0.87 ADORA2A (0.57) BCHEKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6449769 0.83 NR1H2 (0.49) BCHEKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6450074 0.83 KDM4E (0.47) BCHEKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6449970 0.82 GUSB (0.47) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6454404 0.80 KDR (0.39) BCHEKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL6449802 0.80 GUSB (0.43) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL6454173 0.80 S1PR1 (0.47) KDM4EKMT2AHPGDADORA2AALDH1A1
SCHEMBL6448592 0.79 SMN1; SMN2 (0.67) KDM4ECYP1A2CYP3A4CYP2C19NPC1
SCHEMBL6450544 0.79 NPC1 (0.40) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL6457130 0.79 GRK6 (0.43) KDM4ECYP1A2CYP3A4CYP2C19NPC1

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 BCHE 773/4885KDM4E 3106/4885CYP1A2 47/4885

“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.