SCHEMBL1541999

SCHEMBL1541999

COc1cc2[nH]ncc2cc1I

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.65
TLR8 Q9NR97 1/20 0.51
MKNK1 Q9BUB5 5/20 0.49
TRPA1 O75762 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
NOS1 P29475 1/20 0.46
CHEK1 O14757 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 3/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL3560175 0.85 AXL (0.73) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL20617830 0.80 AXL (0.67) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL1542113 0.79 AXL (1.00) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL29521071 0.79 AXL (0.60) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL30153817 0.79 AXL (0.65) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL24358770 0.79 AXL (0.65) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL359039 0.79 AXL (0.65) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL29664834 0.78 AXL (0.44) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL24511678 0.78 AXL (0.44) AXLTLR8MKNK1TRPA1TRPM8
SCHEMBL9917349 0.78 AXL (0.64) AXLTLR8MKNK1TRPA1TRPM8

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-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 US disclosed
EP-2308880-A1 TETRACYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-04-13 EP 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-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN AXL 1385/4885TLR8 3177/4885MKNK1 4365/4885

“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.