SCHEMBL2269295

SCHEMBL2269295

Oc1nc(CC2CCCC2)nc2c1CCC2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ACHE P22303 1/20 0.32
MAPK1 P28482 1/20 0.32
BPTF Q12830 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
CYP1A2 P05177 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR3A P46098 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
SCHEMBL2272061 0.80 MAPK1 (0.37) HRH4MEN1KMT2AACHEMAPK1
SCHEMBL18711733 0.75 GAA (0.41) MEN1KMT2AACHEMAPK1BPTF
SCHEMBL2272015 0.70 HTR2A (0.40) MEN1KMT2AACHEMAPK1BPTF
SCHEMBL11348979 0.68 HRH4 (0.44) HRH4MEN1KMT2AHTR3A
SCHEMBL30350953 0.68 ACHE (0.43) MEN1KMT2AACHEMAPK1BPTF
SCHEMBL1821069 0.68 ACHE (0.43) MEN1KMT2AACHEMAPK1BPTF
SCHEMBL11351061 0.66 NPSR1 (0.37) MEN1KMT2AMAPK1ALDH1A1TSHR
SCHEMBL21573227 0.66 HRH4 (0.39) HRH4ALDH1A1TSHRHTR3A
SCHEMBL2118395 0.66 HRH4 (0.39) HRH4ALDH1A1TSHRHTR3A
SCHEMBL7354776 0.66 HRH4 (0.46) HRH4MEN1KMT2AALDH1A1NPSR1

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 3 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

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 HRH4 1956/4885MEN1 4331/4885KMT2A 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.