SCHEMBL2268419

SCHEMBL2268419

COC(=O)C1(c2ccc(Nc3nc(-c4cnn(C)c4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 7/20 0.45
▸ ROCK2 O75116 1/20 0.42
▸ KDM1A O60341 1/20 0.38
▸ PDE4D Q08499 5/20 0.37
▸ CREBBP Q92793 5/20 0.36
▸ BRD4 O60885 4/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL2268898 0.91 PDE4B (0.48) PDE4BROCK2KDM1APDE4DCREBBP
SCHEMBL2271739 0.86 PDE4B (0.61) PDE4BPDE4D
SCHEMBL2270018 0.85 PDE4B (0.50) PDE4BROCK2PDE4DALDH1A1
SCHEMBL2270512 0.85 PDE4B (0.46) PDE4BROCK2PDE4DCREBBPBRD4
SCHEMBL13458852 0.85 ROCK2 (0.51) PDE4BROCK2
SCHEMBL2267799 0.84 PDE4B (0.49) PDE4BROCK2PDE4DKARS1TRPV1
SCHEMBL2266542 0.83 PDE4B (0.50) PDE4BROCK2PDE4DLMNA
SCHEMBL2266533 0.82 PDE4B (0.47) PDE4BROCK2KDM1APDE4D
SCHEMBL2266566 0.80 PDE4B (0.40) PDE4BROCK2BRD4KARS1ALDH1A1
SCHEMBL2271101 0.78 PDE4B (0.41) PDE4BKARS1ALDH1A1LMNATRPV1

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 7 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

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 1568/4885ROCK2 3039/4885KDM1A 565/4885

“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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