SCHEMBL12556533

SCHEMBL12556533

CC(C)(C)c1nc(=O)ncn1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12556539 0.68 ALDH1A1 (0.37) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL12556538 0.68 GAA (0.30) ALDH1A1
SCHEMBL12702629 0.64 ALDH1A1 (0.44) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL10205286 0.64 ALDH1A1 (0.37) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL13988254 0.63 ALDH1A1 (0.36) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL24417714 0.63 PI4KA (0.32) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL15471719 0.62 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL24754378 0.61 ALDH1A1 (0.38) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL12246250 0.61 ALDH1A1 (0.38) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL24659479 0.61 ALDH1A1 (0.42) ALDH1A1LMNAPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 — — US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 — — US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 — — US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 — — 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-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS CDK4, CDKL4, CDK2 ALDH1A1 1917/4885LMNA 2869/4885PI4KA 401/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 ALDH1A1 1917/4885LMNA 2869/4885PI4KA 401/4885

“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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