SCHEMBL2269303

SCHEMBL2269303

CC(C)(C)Nc1nc(Nc2ccc(C3(C(=O)O)CCCC3)cc2)nc2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ SYK P43405 2/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ACHE P22303 2/20 0.34
▸ APP P05067 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CYP26A1 O43174 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL2265561 0.90 BRD4 (0.40) BRD4SYKPDE4BTSHRALDH1A1
SCHEMBL2268242 0.81 MERTK (0.45) BRD4SYKMEN1KMT2A
SCHEMBL2267684 0.78 KMT2A (0.44) BRD4PDE4BMEN1KMT2AALDH1A1
SCHEMBL2268382 0.77 PDE4B (0.39) BRD4AKR1C1PDE4BACHEAPP
SCHEMBL2270579 0.77 NPY5R (0.41) BRD4SYKPDE4B
SCHEMBL2268972 0.76 AXL (0.42) BRD4MEN1KMT2AALDH1A1
SCHEMBL2266719 0.75 TRPV1 (0.42) BRD4PDE4BSLC22A12
SCHEMBL3227545 0.75 IDH2 (0.38) AKR1C1SYK
SCHEMBL2265504 0.75 ACHE (0.47) MEN1KMT2ATSHRACHEALDH1A1
SCHEMBL2269565 0.75 SRC (0.34) BRD4MEN1KMT2AACHEAPP

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-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — US claimed
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
US-7989463-B2 Biccyclic compounds as GATA modulators DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-02 — — US disclosed
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
US-20100144731-A1 Novel Biccyclic Compounds As GATA Modulators DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 — — 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 BRD4 33/4885AKR1C1 3977/4885SYK 3094/4885

“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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