SCHEMBL2268692

SCHEMBL2268692

COC(=O)C1(c2ccc(Nc3nc(N(CC4CC4)CC4CC4)nc4c3CCC4)cc2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ TRPV1 Q8NER1 3/20 0.34
▸ 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
▸ SLC22A12 Q96S37 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ BDKRB1 P46663 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ LCK P06239 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL12368082 0.91 PDE4B (0.38) PDE4BKARS1TRPV1TSHRSLC22A12
SCHEMBL2268388 0.90 PDE4B (0.41) PDE4BKARS1LMNATSHRSMN1; SMN2
SCHEMBL2266569 0.81 PDE4B (0.39) PDE4BHRH3KARS1TRPV1LMNA
SCHEMBL2270382 0.81 PDE4B (0.38) PDE4BHRH3KARS1TRPV1LMNA
SCHEMBL2266566 0.80 PDE4B (0.40) PDE4BKARS1TRPV1LMNATSHR
SCHEMBL2272841 0.79 SHMT2 (0.39) PDE4BKARS1TRPV1SMN1; SMN2BRD4
SCHEMBL2269536 0.79 PDE4B (0.38) PDE4BHRH3KARS1TRPV1LMNA
SCHEMBL2271101 0.78 PDE4B (0.41) PDE4BHRH3KARS1TRPV1LMNA
SCHEMBL2268687 0.78 BRD4 (0.38) PDE4BHRH3KARS1TRPV1LMNA
SCHEMBL2271739 0.77 PDE4B (0.61) PDE4BIGF1R

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-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

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 1568/4885HRH3 2324/4885KARS1 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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