SCHEMBL3515504

SCHEMBL3515504

O=C(Nc1ccncc1)c1c(F)cccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 1.00
JAK2 O60674 5/20 1.00
JAK1 P23458 4/20 1.00
HTT P42858 2/20 0.79
CYP3A4 P08684 2/20 0.79
NOD2 Q9HC29 1/20 0.79
MAPK7 Q13164 1/20 0.66
RAB9A P51151 3/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.60
TLR7 Q9NYK1 1/20 0.60
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HPGD P15428 1/20 0.58
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL8124406 0.89 TYK2 (1.00) TYK2JAK2JAK1HTTCYP3A4
SCHEMBL6127974 0.82 JAK2 (0.69) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL3512704 0.82 TYK2 (0.79) TYK2JAK2JAK1HTTCYP3A4
SCHEMBL3514976 0.82 TYK2 (1.00) TYK2JAK2JAK1HTTCYP3A4
SCHEMBL3515171 0.82 JAK1 (1.00) TYK2JAK2JAK1HTTCYP3A4
SCHEMBL3514983 0.82 TYK2 (0.79) TYK2JAK2JAK1HTTCYP3A4
SCHEMBL3514109 0.81 TYK2 (0.69) TYK2JAK2JAK1HTTCYP3A4
SCHEMBL3516060 0.81 TYK2 (1.00) TYK2JAK2JAK1HTTCYP3A4
SCHEMBL17607189 0.80 MAPK7 (1.00) TYK2JAK2JAK1HTTCYP3A4
SCHEMBL793267 0.79 JAK2 (0.65) TYK2JAK2JAK1CYP3A4RAB9A

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.