SCHEMBL14553233

SCHEMBL14553233

C=C1Oc2ccc(Nc3nc(Nc4ccc(N5CC6CC5CN6C)c(C)c4)ncc3C)nc2N(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 10/20 0.43
▸ JAK2 O60674 5/20 0.43
▸ JAK3 P52333 4/20 0.41
▸ TYK2 P29597 2/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ BRD4 O60885 4/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ EGFR P00533 5/20 0.34
▸ CSF1R P07333 4/20 0.34
▸ FLT3 P36888 1/20 0.34

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
SCHEMBL3116796 0.86 JAK1 (0.44) JAK1JAK2JAK3TYK2PAK1
SCHEMBL13268016 0.84 BRD4 (0.51) JAK1JAK2JAK3TYK2PAK1
SCHEMBL14553232 0.82 JAK1 (0.46) JAK1JAK2JAK3TYK2PAK1
SCHEMBL12854480 0.81 JAK1 (0.43) JAK1JAK2JAK3TYK2PAK1
SCHEMBL14553235 0.80 JAK1 (0.44) JAK1JAK2JAK3TYK2PAK1
SCHEMBL3118461 0.80 JAK1 (0.48) JAK1JAK2JAK3TYK2PAK1
SCHEMBL3120192 0.79 JAK1 (0.46) JAK1JAK2JAK3TYK2PAK1
SCHEMBL3114853 0.78 SYK (0.48) JAK1JAK2JAK3TYK2PAK1
SCHEMBL3103946 0.77 JAK1 (0.46) JAK1JAK2JAK3TYK2PAK1
SCHEMBL13268027 0.76 BRD4 (0.58) JAK1JAK2JAK3BRD4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 — — 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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 567/4885JAK2 854/4885JAK3 1186/4885

“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.

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