SCHEMBL1395335

SCHEMBL1395335

CC(=O)N1CCN(c2ccc(-c3nc(N)nc(Nc4ccc5oc(=O)[nH]c5c4)c3C)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.44
▸ JAK1 P23458 5/20 0.43
▸ JAK3 P52333 5/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALK Q9UM73 1/20 0.40
▸ CASP6 P55212 1/20 0.39
▸ GFER P55789 1/20 0.39

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
SCHEMBL29780520 1.00 SYK (0.44) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL29780516 0.91 JAK1 (0.41) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL28778616 0.86 JAK1 (0.42) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL29610715 0.81 JAK1 (0.48) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL29373330 0.80 JAK1 (0.51) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL1395334 0.79 JAK1 (0.43) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL341066 0.79 JAK1 (0.66) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL28944384 0.77 JAK1 (0.43) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL29752405 0.77 JAK1 (0.43) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL28778620 0.77 JAK1 (0.42) SYKJAK1JAK3JAK2CYP3A4

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-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 — — 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-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 SYK 119/4885JAK1 3/4885JAK3 1/4885

“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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