SCHEMBL2272061

SCHEMBL2272061

Clc1nc(CC2CCCC2)nc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
NSD2 O96028 1/20 0.37
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ACHE P22303 1/20 0.32
BPTF Q12830 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CYP1A2 P05177 2/20 0.30
HTR3A P46098 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
MMP13 P45452 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2269295 0.80 HRH4 (0.35) MAPK1KMT2AMEN1ACHEBPTF
SCHEMBL2115421 0.74 HRH4 (0.40) ALDH1A1HRH4PDE4APDE4BPDE4C
SCHEMBL1595304 0.72 MAPK1 (0.41) MAPK1NSD2KMT2AMEN1ACHE
SCHEMBL2271668 0.70 PDE10A (0.42) MAPK1NSD2KMT2AMEN1ACHE
SCHEMBL30095835 0.68 PDE10A (0.48) MAPK1NSD2KMT2AMEN1ACHE
SCHEMBL30095928 0.68 PDE10A (0.48) MAPK1NSD2KMT2AMEN1ACHE
SCHEMBL27013353 0.68 HTR2C (0.49) KMT2AMEN1ACHE
SCHEMBL633261 0.68 ACHE (0.43) MAPK1NSD2KMT2AMEN1ACHE
SCHEMBL30777931 0.68 ACHE (0.43) MAPK1NSD2KMT2AMEN1ACHE
SCHEMBL15659922 0.67 SPR (0.37) MAPK1NSD2KMT2AMEN1ACHE

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 MAPK1 2392/4885NSD2 706/4885KMT2A 359/4885

“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.