SCHEMBL18501686

SCHEMBL18501686

C=CC(=O)Nc1ccc(CNc2nc(Nc3ccc(N4CCCCC4)cc3)ncc2Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.85
JAK1 P23458 5/20 0.71
JAK2 O60674 4/20 0.71
TTK P33981 3/20 0.71
STAT6 P42226 2/20 0.60
MAP3K7 O43318 1/20 0.57
FGFR1 P11362 1/20 0.57
SRC P12931 1/20 0.57
MAPK1 P28482 1/20 0.57
MAP2K1 Q02750 1/20 0.57
EGFR P00533 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
SCHEMBL17209772 0.92 JAK3 (1.00) JAK3JAK1JAK2TTKSTAT6
SCHEMBL17209773 0.91 JAK3 (0.83) JAK3JAK1JAK2TTKMAP3K7
SCHEMBL18501685 0.87 JAK3 (0.73) JAK3JAK1JAK2TTK
SCHEMBL17209872 0.83 JAK3 (1.00) JAK3JAK1JAK2TTKEGFR
SCHEMBL17209787 0.83 JAK3 (1.00) JAK3JAK1JAK2TTK
SCHEMBL28980974 0.82 JAK3 (0.73) JAK3JAK1JAK2TTKMAP3K7
SCHEMBL17209811 0.82 JAK3 (1.00) JAK3JAK1JAK2TTKEGFR
SCHEMBL17209828 0.82 JAK3 (0.85) JAK3JAK1JAK2TTKEGFR
SCHEMBL28981015 0.81 JAK3 (0.69) JAK3JAK1JAK2TTKSTAT6
SCHEMBL17209777 0.81 JAK3 (0.86) JAK3JAK1JAK2TTKEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017477-B2 Janus kinase inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-16 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 (2 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-20170044111-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 3/4885
US-10017477-B2 Janus kinase inhibitors and uses thereof JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 3/4885

“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.