SCHEMBL13253187

SCHEMBL13253187

Cc1cnc(Nc2ccc(N3CCC(O)CC3)cc2)nc1-c1ccc(C(=O)NCN)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.65
▸ JAK3 P52333 11/20 0.65
▸ JAK1 P23458 8/20 0.65
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ SYK P43405 2/20 0.49

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
SCHEMBL13253725 0.91 JAK2 (0.63) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL13253727 0.90 JAK2 (0.59) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL2866901 0.90 JAK2 (0.81) JAK2JAK3JAK1HDAC1
SCHEMBL30051224 0.90 JAK2 (0.81) JAK2JAK3JAK1HDAC1
SCHEMBL13253275 0.89 JAK2 (0.81) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL13253264 0.88 JAK2 (0.60) JAK2JAK3JAK1HDAC1HDAC6
SCHEMBL2863402 0.81 JAK2 (0.79) JAK2JAK3JAK1HDAC1
SCHEMBL30051760 0.81 JAK2 (0.79) JAK2JAK3JAK1HDAC1
SCHEMBL23897397 0.81 JAK2 (0.78) JAK2JAK3JAK1HDAC1
SCHEMBL2863080 0.80 JAK2 (0.74) JAK2JAK3JAK1HDAC1

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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 — — 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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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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