SCHEMBL3074607

SCHEMBL3074607

CC(C)c1c(C(=O)N2CCC(N3CCOC3=O)CC2)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
VNN1 O95497 1/20 0.34
F10 P00742 1/20 0.33
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
NPY5R Q15761 1/20 0.31
USP2 O75604 1/20 0.30
PKM P14618 1/20 0.30
DYRK1A Q13627 1/20 0.30
MCHR1 Q99705 1/20 0.30
SPR P35270 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL3063954 0.90 VNN1 (0.35) KDM5AVNN1F10TYRO3MERTK
SCHEMBL3057907 0.89 F10 (0.36) VNN1F10TYRO3MERTKNPY5R
SCHEMBL3063951 0.89 VNN1 (0.34) VNN1F10TYRO3MERTKNPY5R
SCHEMBL3064153 0.87 VNN1 (0.34) VNN1F10TYRO3MERTKNPY5R
SCHEMBL3068892 0.87 F10 (0.33) VNN1F10TYRO3MERTKNPY5R
SCHEMBL3063831 0.87 ERN1 (0.35) VNN1F10TYRO3MERTKNPY5R
SCHEMBL3074119 0.87 RET (0.33) VNN1F10TYRO3MERTKNPY5R
SCHEMBL13090302 0.84 F10 (0.31) F10NPY5RUSP2
SCHEMBL3076986 0.81 RBP4 (0.39) KDM5AVNN1F10NPY5RMCHR1
SCHEMBL13090384 0.80 VNN1 (0.32) KDM5AVNN1TYRO3MERTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US claimed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 KDM5A 4081/4885VNN1 1145/4885F10 2944/4885

“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.