SCHEMBL888788

SCHEMBL888788

Cc1nc(-c2ccc3cc(-c4cnc(NC[C@@H]5CCCN5C(=O)[C@@H](C)C(C)C)nc4)ccc3c2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.40
HCRTR2 O43614 4/20 0.40
ABL1 P00519 2/20 0.37
CYP2D6 P10635 2/20 0.37
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
JAK3 P52333 2/20 0.37
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
WNT1 P04628 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL889123 0.90 CYP3A4 (0.40) HCRTR1HCRTR2CYP2D6DPP4DPP8
SCHEMBL888763 0.84 NR1I2 (0.36) HCRTR1HCRTR2CYP2D6CYP11B2
SCHEMBL888955 0.82 NR1I2 (0.53) CYP2D6
SCHEMBL889124 0.79 BRAF (0.38) HCRTR1HCRTR2CYP2D6JAK3
SCHEMBL889116 0.76 CYP3A4 (0.55) HCRTR1HCRTR2CYP2D6DPP4DPP8
SCHEMBL888977 0.75 PRMT5 (0.43) HCRTR1HCRTR2GSK3BDYRK1AWNT1
SCHEMBL12810215 0.72 CYP3A4 (0.53) CYP2D6
SCHEMBL888919 0.71 CYP3A4 (0.47) CYP2D6
SCHEMBL12755275 0.70 KCNH2 (0.48) HCRTR1HCRTR2JAK3
SCHEMBL889077 0.69 PRMT5 (0.49)

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-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 HCRTR1 3277/4885HCRTR2 4149/4885ABL1 312/4885

“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.