SCHEMBL741202

SCHEMBL741202

COC(=O)c1cc(-c2ccccc2)nc(-c2nn[nH]n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
GP6 Q9HCN6 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
LTB4R Q15722 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL28490522 0.86 TSHR (0.57) GAAGABRG2GABRB3GABRA5GABRA3
SCHEMBL743969 0.85 CTRC (0.57) LMNAMAPTGP6ME2ME1
SCHEMBL733469 0.80 GAA (0.48) GAAGABRG2GABRB3GABRA5GABRA3
SCHEMBL4261812 0.78 MAPT (0.60) GABRG2GABRB3GABRA5GABRA3LMNA
SCHEMBL28496947 0.77 ALDH1A1 (0.52) GAAGABRG2GABRB3GABRA5GABRA3
SCHEMBL28493223 0.76 ALDH1A1 (0.70) GAAGABRG2GABRB3GABRA5GABRA3
SCHEMBL732748 0.76 KDM4E (0.51) GAAGABRG2GABRB3GABRA5GABRA3
SCHEMBL15173414 0.76 KDM4E (0.67) GAAGABRG2GABRB3GABRA5GABRA3
SCHEMBL21083903 0.75 EGFR (0.61) LMNAGP6AGTR1AGTR2
SCHEMBL30849997 0.75 EGFR (0.61) LMNAGP6AGTR1AGTR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 GAA 3801/4885GABRG2 4088/4885GABRB3 2572/4885

“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.