SCHEMBL11577671

SCHEMBL11577671

c1cncc2cccc-2c1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.88
ALDH1A1 P00352 2/20 0.88
CYP3A4 P08684 2/20 0.88
CYP1A2 P05177 1/20 0.88
MKNK1 Q9BUB5 4/20 0.64
MKNK2 Q9HBH9 4/20 0.64
MEN1 O00255 1/20 0.64
PSIP1 O75475 1/20 0.64
AXL P30530 1/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CYP11B2 P19099 2/20 0.61
KIF11 P52732 1/20 0.61

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
SCHEMBL24534338 0.94 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL13907273 0.94 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL29360677 0.94 CYP2A6 (0.88) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL30473120 0.94 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL120088 0.94 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL29419014 0.94 CYP2A6 (1.00) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL29500136 0.92 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
Biphenyl SCHEMBL28338714 0.92 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL141605 0.92 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1
SCHEMBL16405704 0.92 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1

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-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-06 US disclosed
US-4141893-A Decahydrocyclopent[c]azepines ELI LILLY AND COMPANY (US) 1979-02-27 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-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF TGFBR2, ASGR1, TGFBR1 CYP2A6 3960/4885ALDH1A1 802/4885CYP3A4 3978/4885

“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.