SCHEMBL6449632

SCHEMBL6449632

Cc1cccc(-c2n[nH]c(-c3c(Cl)cccc3Cl)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.56
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
ALPL P05186 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6449933 0.90 JAK2 (0.47) JAK2CCR1CCR8NPC1RAB9A
SCHEMBL6461216 0.85 NPC1 (0.60) JAK2CCR1CCR8NPC1RAB9A
SCHEMBL13377809 0.84 CCR1 (0.54) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL6449633 0.82 CCR1 (0.44) JAK2CCR1CCR8NPC1RAB9A
SCHEMBL5959907 0.79 SMN1; SMN2 (0.69) JAK2CCR1CCR8NPC1RAB9A
SCHEMBL6450652 0.75 NR1H2 (0.46) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL6454147 0.75 MEN1 (0.41) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL6451236 0.75 NR1H2 (0.59) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL7049722 0.75 TGFBR1 (0.53) CCR1CCR8NPC1RAB9ASMN1; SMN2
SCHEMBL6452540 0.74 IDO1 (0.44) NPC1RAB9ASMN1; SMN2HPGDALOX15

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 JAK2 524/4885CCR1 128/4885CCR8 124/4885

“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.