SCHEMBL1706696

SCHEMBL1706696

COC(=O)c1c(F)cc(C#N)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ ACLY P53396 2/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ ALPL P05186 1/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ GPR35 Q9HC97 3/20 0.37
▸ CISD2 Q8N5K1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ AR P10275 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
SCHEMBL1707633 0.89 MRGPRX4 (0.45) TYK2MRGPRX4ACLYCYP11B1CYP11B2
SCHEMBL18006803 0.89 GPR35 (0.41) ALPLCYP11B1CYP11B2GPR35CISD2
SCHEMBL22889914 0.83 CYP3A4 (0.44) CYP11B1CYP11B2GPR35CISD2MEN1
SCHEMBL794012 0.80 TYK2 (0.45) JAK2TYK2ACLYCYP11B1PDK1
SCHEMBL792494 0.80 TYK2 (0.42) JAK2TYK2MRGPRX4ACLYPDK1
SCHEMBL793644 0.79 TYK2 (0.41) JAK2TYK2ACLYPDK1PDK2
SCHEMBL20644102 0.78 ACLY (0.46) ACLYALPLMEN1MAPTCASP3
SCHEMBL793325 0.77 KDM4E (0.48) ACLYPDK1PDK2PDK3PDK4
SCHEMBL792634 0.76 NQO2 (0.44) ACLYALPLMEN1MAPTCASP3
SCHEMBL516651 0.76 NOTUM (0.41) ACLYALPLMEN1MAPTCASP3

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 JAK2 1/4885TYK2 21/4885MRGPRX4 1009/4885

“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.

Send feedback