SCHEMBL6449933

SCHEMBL6449933

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.47
PTGES O14684 11/20 0.41
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
CYP2C9 P11712 3/20 0.37
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
ALPL P05186 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6449632 0.90 JAK2 (0.56) JAK2CCR1CCR8CYP2C9CYP2D6
SCHEMBL6449633 0.90 CCR1 (0.44) JAK2CCR1CCR8SMN1; SMN2NPC1
SCHEMBL6454144 0.82 SMN1; SMN2 (0.60) JAK2PTGESCCR1CCR8CYP2C9
SCHEMBL6452524 0.80 DCUN1D1 (0.50) CCR1CCR8CYP2C9CYP2D6SMN1; SMN2
SCHEMBL6461216 0.80 NPC1 (0.60) JAK2CCR1CCR8CYP2C9CYP2D6
SCHEMBL13377809 0.78 CCR1 (0.54) CCR1CCR8SMN1; SMN2NPC1ALPL
SCHEMBL6507632 0.73 SMN1; SMN2 (0.51) JAK2PTGESSMN1; SMN2NPC1RAB9A
SCHEMBL18807016 0.71 CCR1 (0.62) CCR1CCR8METAP2TGFBR1
SCHEMBL5959907 0.71 SMN1; SMN2 (0.69) JAK2CCR1CCR8CYP2C9CYP2D6
SCHEMBL13385407 0.70 CCR1 (0.44) JAK2PTGESCCR1CCR8CYP2C9

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 524/4885PTGES 648/4885CCR1 128/4885

“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.