SCHEMBL20176610

SCHEMBL20176610

N#Cc1cc(O)cc2[nH]ncc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.42
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
TRPA1 O75762 2/20 0.38
CYP1A2 P05177 1/20 0.36
IDO1 P14902 6/20 0.36
TDO2 P48775 2/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34

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
SCHEMBL18714303 0.80 METAP2 (0.58) METAP2TRPA1CYP1A2IDO1TDO2
SCHEMBL30856325 0.79 METAP2 (0.49) METAP2TRPA1CYP1A2IDO1TDO2
SCHEMBL15808384 0.79 METAP2 (0.49) METAP2TRPA1CYP1A2IDO1TDO2
SCHEMBL14723220 0.79 METAP2 (0.49) METAP2TRPA1CYP1A2IDO1TDO2
SCHEMBL459141 0.79 IDO1 (0.56) METAP2TRPA1IDO1TDO2
SCHEMBL28850763 0.75 ESR1 (0.42) METAP2ESR1IDO1TDO2FGFR1
SCHEMBL21267264 0.75 METAP2 (0.52) METAP2TRPA1CYP1A2IDO1TDO2
SCHEMBL24045193 0.72 TDO2 (0.47) METAP2TRPA1IDO1TDO2
SCHEMBL19475693 0.72 METAP2 (0.38) METAP2TRPA1CYP1A2IDO1TDO2
SCHEMBL12683697 0.72 FGFR1 (0.44) METAP2CYP1A2IDO1TDO2FGFR1

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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 METAP2 4770/4885ESR1 2235/4885ESR2 3271/4885

“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.