SCHEMBL12948484

SCHEMBL12948484

CC(C)(C)OC(=O)NCc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)c(CO)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.54
▸ JAK3 P52333 8/20 0.48
▸ TYK2 P29597 2/20 0.48
▸ JAK1 P23458 2/20 0.47
▸ SMG1 Q96Q15 2/20 0.46
▸ MTOR P42345 1/20 0.46
▸ CAMK2D Q13557 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCNT1 O60563 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ SYK P43405 1/20 0.44

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
SCHEMBL12921688 0.95 JAK2 (0.51) JAK2JAK3TYK2JAK1SMG1
SCHEMBL12948473 0.92 JAK2 (0.54) JAK2JAK3TYK2JAK1CAMK2D
SCHEMBL12948324 0.91 JAK2 (0.49) JAK2JAK3TYK2JAK1SMG1
SCHEMBL12921711 0.90 JAK2 (0.48) JAK2JAK3TYK2JAK1SMG1
SCHEMBL12948482 0.89 JAK2 (0.47) JAK2JAK3TYK2JAK1SMG1
SCHEMBL12921689 0.88 JAK2 (0.48) JAK2JAK3TYK2JAK1SMG1
SCHEMBL12921690 0.85 JAK2 (0.46) JAK2JAK3TYK2JAK1SMG1
SCHEMBL12948369 0.84 JAK2 (0.51) JAK2JAK3TYK2JAK1CAMK2D
SCHEMBL12921700 0.84 JAK2 (0.56) JAK2JAK3TYK2JAK1SMG1
SCHEMBL12921635 0.84 JAK2 (0.51) JAK2JAK3TYK2JAK1CAMK2D

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-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2013-02-28 — — US disclosed
US-8318929-B2 4-aryl-2-anilino-pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 — — US disclosed
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2011-01-13 — — 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 (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-20130053379-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 JAK2 372/4885JAK3 462/4885TYK2 81/4885
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 JAK2 372/4885JAK3 462/4885TYK2 81/4885

“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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