SCHEMBL3513617

SCHEMBL3513617

O=C(NCCCn1ccnc1)c1ccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.54
TYK2 P29597 7/20 0.54
JAK1 P23458 5/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP19A1 P11511 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NAMPT P43490 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL13043375 0.85 TYK2 (0.60) JAK2TYK2JAK1
SCHEMBL13032671 0.82 TYK2 (0.57) JAK2TYK2JAK1
SCHEMBL3517458 0.81 TYK2 (0.59) JAK2TYK2JAK1
SCHEMBL3516473 0.80 TYK2 (0.55) JAK2TYK2JAK1
SCHEMBL3514268 0.78 TYK2 (0.69) JAK2TYK2JAK1
SCHEMBL12987231 0.78 TYK2 (0.71) JAK2TYK2JAK1
SCHEMBL3514600 0.77 TYK2 (0.70) JAK2TYK2JAK1
SCHEMBL10931952 0.74 ALDH1A1 (0.75) ALDH1A1CYP19A1MEN1KMT2AKDM4E
SCHEMBL3513033 0.74 TYK2 (0.66) JAK2TYK2JAK1
SCHEMBL3516487 0.74 TYK2 (0.62) 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 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
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

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.