SCHEMBL12556539

SCHEMBL12556539

CC(C)(C)c1cc(=O)ncn1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 2/20 0.33
▸ 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
▸ NPSR1 Q6W5P4 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL24375661 0.79 GDA (0.33) ALDH1A1LMNANPSR1
SCHEMBL24375210 0.73 HCAR3 (0.34) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL10205286 0.68 ALDH1A1 (0.37) ALDH1A1LMNAHPGDPI4KAPI4K2B
SCHEMBL12556533 0.68 ALDH1A1 (0.37) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL6762412 0.66 TDP1 (0.34) ALDH1A1TDP1NPSR1
SCHEMBL24659479 0.65 ALDH1A1 (0.42) ALDH1A1LMNAHPGDPI4KAPI4K2B
SCHEMBL12556550 0.65 — —
SCHEMBL24659485 0.64 ALDH1A1 (0.44) ALDH1A1LMNAHPGDPI4KAPI4K2B
SCHEMBL13988254 0.63 ALDH1A1 (0.36) ALDH1A1LMNAHPGDPI4KAPI4K2B
SCHEMBL24637828 0.62 ALDH1A1 (0.40) ALDH1A1LMNANPSR1

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 2869/4885HPGD 561/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 ALDH1A1 1917/4885LMNA 2869/4885HPGD 561/4885

“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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