SCHEMBL3514256

SCHEMBL3514256

O=C(Nc1ccnc(Nc2cccnc2)n1)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.54
TYK2 P29597 9/20 0.54
JAK1 P23458 5/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AURKA O14965 3/20 0.50
AURKB Q96GD4 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CYP11B2 P19099 1/20 0.48
LCK P06239 1/20 0.47
PPARG P37231 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3515247 0.89 JAK2 (0.64) JAK2TYK2JAK1AURKAAURKB
SCHEMBL3513072 0.88 TYK2 (0.62) JAK2TYK2JAK1CYP3A4AURKA
SCHEMBL3515487 0.83 AURKA (0.71) JAK2TYK2AURKAAURKB
SCHEMBL5999675 0.83 LCK (0.57) JAK2TYK2JAK1CYP3A4ALDH1A1
SCHEMBL3516179 0.82 AURKA (0.68) JAK2TYK2AURKAAURKB
SCHEMBL3514123 0.81 TYK2 (0.65) JAK2TYK2JAK1AURKAAURKB
SCHEMBL3512434 0.79 JAK2 (0.54) JAK2TYK2CYP1A2CYP2C19CYP3A4
SCHEMBL3513587 0.78 JAK2 (0.51) JAK2TYK2JAK1AURKAAURKB
SCHEMBL3515174 0.76 PDPK1 (0.52) JAK2TYK2SMN1; SMN2AURKAAURKB
SCHEMBL3514471 0.76 TYK2 (0.65) JAK2TYK2JAK1

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-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
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
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 JAK2 1/4885TYK2 21/4885JAK1 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.