SCHEMBL17209892

SCHEMBL17209892

C=CC(=O)Nc1cccc(Cn2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 1.00
▸ EGFR P00533 6/20 0.78
▸ BTK Q06187 4/20 0.78
▸ JAK2 O60674 3/20 0.78
▸ JAK1 P23458 2/20 0.78
▸ TYK2 P29597 1/20 0.78
▸ FLT3 P36888 2/20 0.65
▸ MAP3K7 O43318 1/20 0.64
▸ MAP2K1 Q02750 1/20 0.64
▸ STAT6 P42226 1/20 0.63
▸ BLK P51451 2/20 0.59
▸ BMX P51813 1/20 0.59

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
SCHEMBL17210091 0.88 JAK3 (1.00) JAK3EGFRBTKJAK2JAK1
SCHEMBL29388091 0.88 JAK3 (0.78) JAK3EGFRBTKJAK2JAK1
SCHEMBL21846862 0.88 JAK3 (0.78) JAK3EGFRBTKJAK2JAK1
SCHEMBL18001999 0.85 JAK3 (0.78) JAK3EGFRBTKJAK2JAK1
SCHEMBL14812381 0.85 JAK3 (0.77) JAK3EGFRBTKJAK2JAK1
SCHEMBL17209811 0.81 JAK3 (1.00) JAK3EGFRBTKJAK2JAK1
SCHEMBL15752405 0.81 EGFR (0.81) JAK3EGFRBTKJAK2JAK1
SCHEMBL18001919 0.81 JAK3 (0.73) JAK3EGFRBTKJAK2JAK1
SCHEMBL17209826 0.80 JAK3 (1.00) JAK3EGFRBTKJAK2JAK1
SCHEMBL17210135 0.80 JAK3 (1.00) JAK3EGFRBTKJAK2JAK1

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 5 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-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
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 1/4885EGFR 692/4885BTK 49/4885
US-10017477-B2 Janus kinase inhibitors and uses thereof JAK3, JAK1, JAK2 JAK3 1/4885EGFR 692/4885BTK 49/4885

“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