SCHEMBL2270512

SCHEMBL2270512

COC(=O)C1(c2ccc(Nc3nc(-c4ccc(C)nc4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 8/20 0.46
▸ IDO1 P14902 1/20 0.43
▸ PDE4D Q08499 6/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PDE10A Q9Y233 3/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC2A1 P11166 2/20 0.35
▸ SLC2A3 P11169 2/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL2271653 0.92 PDE4B (0.48) PDE4BIDO1PDE4DROCK2PDE10A
SCHEMBL2270018 0.90 PDE4B (0.50) PDE4BPDE4DROCK2SMN1; SMN2
SCHEMBL2267799 0.87 PDE4B (0.49) PDE4BPDE4DROCK2SMN1; SMN2KARS1
SCHEMBL2271739 0.87 PDE4B (0.61) PDE4BPDE4D
SCHEMBL2266542 0.86 PDE4B (0.50) PDE4BPDE4DROCK2LMNATSHR
SCHEMBL13458852 0.85 ROCK2 (0.51) PDE4BROCK2SLC2A1SLC2A3
SCHEMBL2268419 0.85 PDE4B (0.45) PDE4BPDE4DROCK2BRD4CREBBP
SCHEMBL2266533 0.85 PDE4B (0.47) PDE4BPDE4DROCK2
SCHEMBL2266566 0.81 PDE4B (0.40) PDE4BROCK2BRD4LMNATSHR
SCHEMBL2265557 0.80 PDE4B (0.54) PDE4BPDE4DROCK2SMN1; SMN2

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-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
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 1568/4885IDO1 1395/4885PDE4D 1805/4885

“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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