SCHEMBL1706027

SCHEMBL1706027

O=C(Nc1cc(Cl)ncc1F)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 7/20 0.43
KCNQ2 O43526 7/20 0.43
KCNE1 P15382 6/20 0.43
KCNQ1 P51787 6/20 0.43
HSPA5 P11021 1/20 0.41
ACLY P53396 1/20 0.40
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
PTPRC P08575 1/20 0.37
KCNQ5 Q9NR82 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL1706612 0.79 TYK2 (0.51) KMT2A
SCHEMBL16165291 0.78 KCNQ3 (0.40) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL16441504 0.76 PTK2 (0.41) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL1707776 0.73 TYK2 (0.46) KMT2ARAB9APOLBCYP3A4
SCHEMBL3344049 0.71 AAK1 (0.45) KCNQ3KCNQ2KCNQ5
SCHEMBL1706653 0.69 TYK2 (0.62) NPC1RAB9A
SCHEMBL793551 0.67 KMT2A (0.41) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL19462480 0.67 TGFBR1 (0.38) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24707414 0.66 NPC1 (0.52) NPC1RAB9APOLB
SCHEMBL30001291 0.66 NPC1 (0.52) NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KCNQ3 2257/4885KCNQ2 2368/4885KCNE1 2472/4885

“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.