SCHEMBL2267799

SCHEMBL2267799

COC(=O)C1(c2ccc(Nc3nc(-c4ccc(C(C)=O)cc4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 13/20 0.49
▸ PDE4D Q08499 8/20 0.46
▸ ROCK2 O75116 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.37
▸ KARS1 Q15046 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ ABCG2 Q9UNQ0 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
SCHEMBL2270018 0.91 PDE4B (0.50) PDE4BPDE4DROCK2MAPTSMN1; SMN2
SCHEMBL2268706 0.90 PDE4B (0.53) PDE4BPDE4DROCK2
SCHEMBL2271739 0.90 PDE4B (0.61) PDE4BPDE4DPDE5AABCC1ABCG2
SCHEMBL2266542 0.90 PDE4B (0.50) PDE4BPDE4DROCK2MAPTSMN1; SMN2
SCHEMBL2266533 0.88 PDE4B (0.47) PDE4BPDE4DROCK2
SCHEMBL2270512 0.87 PDE4B (0.46) PDE4BPDE4DROCK2TRPV1KARS1
SCHEMBL13458852 0.85 ROCK2 (0.51) PDE4BROCK2
SCHEMBL2268419 0.84 PDE4B (0.45) PDE4BPDE4DROCK2TRPV1KARS1
SCHEMBL2266566 0.82 PDE4B (0.40) PDE4BROCK2TRPV1KARS1MAPT
SCHEMBL2265557 0.82 PDE4B (0.54) PDE4BPDE4DROCK2MAPTPOLB

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-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
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 1568/4885PDE4D 1805/4885ROCK2 3039/4885

“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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