SCHEMBL13658075

SCHEMBL13658075

CC(C)(C)c1ccc(N2C[C@H]3C[C@@H]2CO3)nc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 14/20 0.46
▸ MAP3K13 O43283 2/20 0.41
▸ MAP3K7 O43318 2/20 0.41
▸ DLK1 P80370 1/20 0.41
▸ ADK P55263 1/20 0.41
▸ MTOR P42345 2/20 0.40
▸ PIK3CA P42336 1/20 0.40

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
SCHEMBL26151679 1.00 MAP3K12 (0.46) MAP3K12MAP3K13MAP3K7DLK1ADK
SCHEMBL13658046 1.00 MAP3K12 (0.46) MAP3K12MAP3K13MAP3K7DLK1ADK
SCHEMBL25147712 0.84 MAP3K12 (0.50) MAP3K12MAP3K13MAP3K7DLK1ADK
SCHEMBL15743911 0.84 MAP3K12 (0.50) MAP3K12MAP3K13MAP3K7DLK1ADK
SCHEMBL15743920 0.84 MAP3K12 (0.50) MAP3K12MAP3K13MAP3K7DLK1ADK
SCHEMBL26153016 0.82 MAP3K12 (0.45) MAP3K12MAP3K13MTORPIK3CA
SCHEMBL21672315 0.79 MAP3K12 (0.54) MAP3K12MAP3K13DLK1ADKMTOR
SCHEMBL18307182 0.79 MAP3K12 (0.48) MAP3K12MAP3K13MAP3K7DLK1ADK
SCHEMBL21588369 0.79 ADK (0.49) MAP3K12MAP3K13MAP3K7DLK1ADK
SCHEMBL21588292 0.79 ADK (0.49) MAP3K12MAP3K13MAP3K7DLK1ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 — — US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 — — US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 — — US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 — — US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 — — US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 — — US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 — — 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 (3 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MAP3K12 52/4885MAP3K13 29/4885MAP3K7 56/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MAP3K12 62/4885MAP3K13 33/4885MAP3K7 75/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 MAP3K12 64/4885MAP3K13 31/4885MAP3K7 75/4885

“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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