SCHEMBL16670393

SCHEMBL16670393

N#Cc1cccc(Oc2ccccc2O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.54
EPAS1 Q99814 6/20 0.47
VEGFA P15692 3/20 0.46
CYP11B1 P15538 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
STK10 O94804 1/20 0.41
SLK Q9H2G2 1/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL8432193 0.88 AR (0.55) AREPAS1VEGFAPDE4APDE4B
SCHEMBL8969033 0.82 AR (0.49) AR
SCHEMBL8432101 0.81 AR (0.49) AREPAS1VEGFAPDE4APDE4B
SCHEMBL922843 0.80 AR (0.59) AREPAS1VEGFAPDE4APDE4B
SCHEMBL920869 0.80 AR (0.54) AREPAS1VEGFAPDE4APDE4B
SCHEMBL922800 0.80 EPAS1 (0.47) AREPAS1VEGFAPDE4APDE4B
SCHEMBL890666 0.80 GAA (0.58) AREPAS1VEGFAPDE4APDE4B
SCHEMBL8379001 0.80 PDE4A (0.54) AREPAS1VEGFAPDE4APDE4B
SCHEMBL27803814 0.79 CA1 (0.46) AREPAS1VEGFAPDE4APDE4B
SCHEMBL851003 0.78 HTT (0.51) EPAS1VEGFASTK10SLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
CN-105939998-B Heteroaryl compound and application thereof as BTK inhibitor 默克专利有限公司 2019-04-16 CN disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
CN-105939998-A Heteroaryl compounds as btk inhibitors and uses thereof 默克专利有限公司 2016-09-14 CN disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 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 (2 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK AR 4444/4885EPAS1 3382/4885VEGFA 4565/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK AR 4444/4885EPAS1 3382/4885VEGFA 4565/4885

“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.