SCHEMBL2268382

SCHEMBL2268382

O=C(O)C1(c2ccc(Nc3nc(NC(C4CC4)C4CC4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.39
▸ BRD4 O60885 7/20 0.36
▸ IGF1R P08069 2/20 0.33
▸ SLC22A12 Q96S37 2/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ KARS1 Q15046 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ APP P05067 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ FLT4 P35916 1/20 0.30
▸ MERTK Q12866 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
SCHEMBL2268687 0.90 BRD4 (0.38) PDE4BBRD4IGF1RSLC22A12KARS1
SCHEMBL2270579 0.84 NPY5R (0.41) PDE4BBRD4IGF1RMERTK
SCHEMBL2266719 0.83 TRPV1 (0.42) PDE4BBRD4IGF1RSLC22A12IDO1
SCHEMBL2268242 0.82 MERTK (0.45) BRD4MERTK
SCHEMBL2267824 0.80 PDE4B (0.41) PDE4BIGF1RSLC22A12AKR1C1KARS1
SCHEMBL2267684 0.79 KMT2A (0.44) PDE4BBRD4
SCHEMBL2267763 0.78 PDE4B (0.41) PDE4BIGF1RSLC22A12AKR1C1KARS1
SCHEMBL2268972 0.78 AXL (0.42) BRD4MERTK
SCHEMBL2269303 0.77 BRD4 (0.39) PDE4BBRD4SLC22A12AKR1C1APP
SCHEMBL2268330 0.77 PDE4B (0.66) PDE4BIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US claimed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US claimed
WO-2010028174-A1 NOVEL BICCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — WO claimed
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US disclosed
WO-2010028174-A1 NOVEL BICCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 — — 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 (1 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-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators GATAD2A, GATAD2B, RUNX1 PDE4B 1568/4885BRD4 33/4885IGF1R 4743/4885

“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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