SCHEMBL6448968

SCHEMBL6448968

Oc1ccc(Cl)cc1-c1nc(-c2ncccc2Br)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.45
ADORA2A P29274 1/20 0.42
CYP19A1 P11511 1/20 0.42
PIM1 P11309 1/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL6450762 0.88 GRK6 (0.46) IDO1ADORA2APIM1MEN1MAPT
SCHEMBL6459163 0.88 GRK6 (0.42) ADORA2AMEN1KMT2ALMNANR1H2
SCHEMBL6449760 0.86 ADORA2A (0.57) IDO1ADORA2ACYP19A1HPGDNR1H2
SCHEMBL6450613 0.86 GRK6 (0.44) IDO1ADORA2ACYP19A1MEN1MAPT
SCHEMBL6454663 0.86 IDO1 (0.45) IDO1ADORA2ACYP19A1PIM1MEN1
SCHEMBL6448384 0.86 IDO1 (0.41) IDO1ADORA2ANR1H2NR1H3HDAC6
SCHEMBL6452420 0.83 IDO1 (0.52) IDO1ADORA2ACYP19A1PIM1MEN1
SCHEMBL6450070 0.83 GRK6 (0.47) CYP19A1MEN1MAPTHPGDKMT2A
SCHEMBL6454218 0.83 IDO1 (0.42) IDO1ADORA2ACYP19A1PIM1MEN1
SCHEMBL6450009 0.83 KMT2A (0.40) ADORA2AMEN1HPGDKMT2ANR1H2

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 IDO1 2394/4885ADORA2A 1442/4885CYP19A1 523/4885

“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.