SCHEMBL479506

SCHEMBL479506

O=C(O)Cc1n[nH]c2ncncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GABRR1 P24046 2/20 0.37
RPS6KB1 P23443 5/20 0.36
AKT1 P31749 4/20 0.36
ALDH1A1 P00352 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
GABRR2 P28476 1/20 0.35
KDM4E B2RXH2 2/20 0.34
AGBL2 Q5U5Z8 2/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
POLB P06746 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL10065472 0.80 LMNA (0.54) LMNAGABRR1RPS6KB1AKT1ALDH1A1
SCHEMBL19575386 0.77 LMNA (0.57) LMNAGABRR1RPS6KB1AKT1ALDH1A1
SCHEMBL4925641 0.76 ALDH1A1 (0.36) LMNAALDH1A1
SCHEMBL16516910 0.75 HCAR2 (0.36) RPS6KB1AKT1TSHRCSNK2A2CSNK2A1
SCHEMBL30002581 0.75 HCAR2 (0.36) RPS6KB1AKT1TSHRCSNK2A2CSNK2A1
SCHEMBL2884786 0.74 LMNA (0.58) LMNAALDH1A1TSHRKDM4EMAPT
SCHEMBL3433360 0.73 RET (0.31)
SCHEMBL6273818 0.72 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4938648 0.72 CYP1A2 (0.37) ALDH1A1TSHRSMN1; SMN2
SCHEMBL1689338 0.71 RPS6KB1 (0.39) RPS6KB1AKT1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
EP-2708538-A1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators Glenmark Pharmaceuticals S.A. (CH) 2014-03-19 EP disclosed
EP-2411393-B1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2014-01-22 EP disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 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 (2 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-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LMNA 2943/4885GABRR1 1337/4885RPS6KB1 2836/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 LMNA 2534/4885GABRR1 1878/4885RPS6KB1 2749/4885

“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.