SCHEMBL17209783

SCHEMBL17209783

C=CC(=O)Nc1cccc(CSc2nc(Nc3cnn(C)c3)ncc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 1.00
▸ JAK1 P23458 4/20 0.75
▸ JAK2 O60674 3/20 0.75
▸ TTK P33981 3/20 0.75
▸ TYK2 P29597 2/20 0.60
▸ AURKA O14965 1/20 0.59
▸ MAP3K7 O43318 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MAP2K1 Q02750 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
SCHEMBL17209782 0.85 JAK3 (1.00) JAK3JAK1JAK2TTKTYK2
SCHEMBL17209778 0.83 JAK3 (1.00) JAK3JAK1JAK2TTKTYK2
SCHEMBL29537933 0.83 JAK3 (0.77) JAK3JAK1JAK2TTKTYK2
SCHEMBL24392803 0.83 JAK3 (0.77) JAK3JAK1JAK2TTKTYK2
SCHEMBL16513260 0.83 JAK3 (0.77) JAK3JAK1JAK2TTKTYK2
SCHEMBL16513406 0.80 JAK3 (0.79) JAK3JAK1JAK2TTKTYK2
SCHEMBL16513511 0.79 MAP3K7 (0.75) JAK3JAK1JAK2TTKMAP3K7
SCHEMBL17209884 0.79 JAK3 (1.00) JAK3JAK1JAK2TTK
SCHEMBL14812608 0.79 JAK3 (0.78) JAK3JAK1JAK2TTKTYK2
SCHEMBL14812381 0.78 JAK3 (0.77) JAK3JAK1JAK2TTKTYK2

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 3 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
WO-2015164614-A1 JANUS KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-10-29 — — WO 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.

Send feedback