SCHEMBL3568923

SCHEMBL3568923

Nc1c(C[C@@H]2CCCO2)cnc2occc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TNK2 Q07912 2/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL5591783 0.70 DHFR (0.45) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL30515644 0.70 DHFR (0.45) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL28066916 0.69 PDE8B (0.39) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL30018228 0.67 TNK2 (0.42) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL28066962 0.67 PDE8B (0.40) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL20775411 0.65 PKM (0.46) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL28198362 0.65 PKM (0.42) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL18109476 0.65 TNK2 (0.39) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL29103632 0.64 NOS2 (0.40) TDP1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6886538 0.64 KMT2A (0.39) TDP1MEN1CYP1A2CYP3A4CYP2D6

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-7674907-B2 Furanopyridine derivatives and methods of use AMGEN INC. (US) 2010-03-09 US disclosed
US-20060046977-A1 Furanopyridine derivatives and methods of use AMGEN INC. 2006-03-02 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-20060046977-A1 Furanopyridine derivatives and methods of use LCK, NFATC1, MINK1 TDP1 231/4885MEN1 749/4885CYP1A2 1386/4885

“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.