SCHEMBL3515067

SCHEMBL3515067

COc1cccc(Cl)c1C(=O)Nc1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.73
JAK2 O60674 8/20 0.73
JAK1 P23458 5/20 0.73
CYP3A4 P08684 1/20 0.73
RAB9A P51151 1/20 0.66
LMNA P02545 1/20 0.64
KCNMA1 Q12791 1/20 0.56
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.52
NOD2 Q9HC29 1/20 0.52

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
SCHEMBL3512979 0.83 TYK2 (0.60) TYK2JAK2JAK1CYP3A4
SCHEMBL3514976 0.81 TYK2 (1.00) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL30831896 0.80 TAS1R3 (0.68) TYK2JAK2JAK1CYP3A4KCNMA1
SCHEMBL27198417 0.80 TAS1R3 (0.68) TYK2JAK2JAK1CYP3A4KCNMA1
SCHEMBL3808349 0.79 LMNA (0.56) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3515171 0.78 JAK1 (1.00) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL3515504 0.78 TYK2 (1.00) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL3514983 0.78 TYK2 (0.79) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL3540939 0.78 TYK2 (0.79) TYK2JAK2JAK1
SCHEMBL3512502 0.78 TYK2 (0.73) TYK2JAK2JAK1CYP3A4MEN1

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 6 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
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US 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 TYK2 21/4885JAK2 1/4885JAK1 2/4885

“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.