SCHEMBL12948405

SCHEMBL12948405

COc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)c(CO)c3)n2)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.56
▸ JAK3 P52333 8/20 0.56
▸ ZAP70 P43403 1/20 0.51
▸ MTOR P42345 1/20 0.48
▸ SMG1 Q96Q15 1/20 0.48
▸ CCNT1 O60563 3/20 0.48
▸ CDK9 P50750 3/20 0.48
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ MYLK4 Q86YV6 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ TYK2 P29597 2/20 0.45

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
SCHEMBL12921641 0.81 JAK2 (0.55) JAK2JAK3SMG1CDK9CDK2
SCHEMBL12948402 0.80 JAK2 (0.47) JAK2JAK3ZAP70MTORSMG1
SCHEMBL12948473 0.77 JAK2 (0.54) JAK2JAK3CDK9CDK2JAK1
SCHEMBL14731361 0.77 JAK2 (0.46) JAK2JAK3ZAP70MTORSMG1
SCHEMBL12921700 0.77 JAK2 (0.56) JAK2JAK3MTORSMG1CDK2
SCHEMBL23677318 0.76 JAK2 (0.51) JAK2JAK3ZAP70MTORSMG1
SCHEMBL1667462 0.76 SMG1 (0.65) JAK2JAK3SMG1CDK2JAK1
SCHEMBL19645891 0.76 JAK2 (0.53) JAK2JAK3ZAP70MTORSMG1
SCHEMBL13588456 0.76 JAK2 (0.67) JAK2JAK3ZAP70MTORSMG1
SCHEMBL4376766 0.76 JAK2 (0.72) JAK2JAK3ZAP70CCNT1CDK9

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 462/4885ZAP70 1105/4885
US-20110009404-A1 4-ARYL-2-ANILINO-PYRIMIDINES PLK4, PLK3, PLK2 JAK2 372/4885JAK3 462/4885ZAP70 1105/4885

“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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