SCHEMBL2268687

SCHEMBL2268687

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.38
▸ PDE4B Q07343 2/20 0.36
▸ KARS1 Q15046 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NR4A1 P22736 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ FLT3 P36888 2/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL2268382 0.90 PDE4B (0.39) BRD4PDE4BKARS1FLT4SLC22A12
SCHEMBL2272841 0.85 SHMT2 (0.39) BRD4PDE4BKARS1SMN1; SMN2MEN1
SCHEMBL2270382 0.81 PDE4B (0.38) BRD4PDE4BKARS1LMNATSHR
SCHEMBL2266566 0.81 PDE4B (0.40) BRD4PDE4BKARS1LMNATSHR
SCHEMBL2269536 0.79 PDE4B (0.38) BRD4PDE4BKARS1LMNATSHR
SCHEMBL2265561 0.79 BRD4 (0.40) BRD4PDE4BLMNATSHRNR4A1
SCHEMBL2274799 0.79 BRD4 (0.43) BRD4FLT3KMT2ATRPV1
SCHEMBL2271101 0.79 PDE4B (0.41) PDE4BKARS1LMNASMN1; SMN2FLT3
SCHEMBL2266569 0.78 PDE4B (0.39) BRD4PDE4BKARS1LMNATSHR
SCHEMBL2268692 0.78 PDE4B (0.37) BRD4PDE4BKARS1LMNATSHR

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 2 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

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 33/4885PDE4B 1568/4885KARS1 2108/4885

“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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