SCHEMBL1643648

SCHEMBL1643648

CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.41
AAK1 Q2M2I8 2/20 0.41
F2 P00734 2/20 0.40
F11 P03951 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LIPG Q9Y5X9 2/20 0.39
LPL P06858 1/20 0.39
DGAT1 O75907 1/20 0.39
P4HB P07237 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL1643646 0.90 HIF1A (0.42) HIF1AAAK1F2F11PRSS1
SCHEMBL6481483 0.81 ROCK1 (0.46) HIF1AAAK1F2F11PRSS1
SCHEMBL4165707 0.80 F11 (0.43) HIF1AAAK1F2F11PRSS1
SCHEMBL8514083 0.78 AAK1 (0.40) HIF1AAAK1LIPGLPLDGAT1
SCHEMBL16009241 0.76 HIF1A (0.46) HIF1AAAK1F2F11PRSS1
SCHEMBL14994486 0.76 HIF1A (0.39) HIF1AAAK1F11LIPGLPL
SCHEMBL1856098 0.75 ALDH1A1 (0.47) HIF1AF11TDP1LIPGLPL
SCHEMBL23249877 0.74 LIPG (0.41) HIF1AAAK1F2F11PRSS1
SCHEMBL25556440 0.74 CSF1R (0.44) HIF1ALIPGLPLDGAT1CA1
SCHEMBL8510710 0.74 PDE4A (0.36) HIF1AAAK1LIPGLPLCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders BAYER HEALTHCARE LLC (US) 2011-04-28 US disclosed
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 US disclosed
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 US disclosed
EP-1689722-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-08-16 EP disclosed
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-15 US disclosed
WO-2005035507-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-04-21 WO 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 (4 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-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS TYMP, DPYD, CCNA2 HIF1A 1467/4885AAK1 3446/4885F2 589/4885
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis CCNA2, MALT1, TPD52L2 HIF1A 2607/4885AAK1 2207/4885F2 2074/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 HIF1A 1467/4885AAK1 3446/4885F2 589/4885
US-20110098301-A1 Pyrimidine Derivatives for Treatment of Hyperproliferative Disorders DPYD, TYMP, TYMS HIF1A 1858/4885AAK1 2512/4885F2 1437/4885

“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.