SCHEMBL479502

SCHEMBL479502

O=C(O)Cc1[nH]nc2ncncc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRR1 P24046 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 1/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
LMNA P02545 1/20 0.33
DYRK1B Q9Y463 2/20 0.32
DYRK1A Q13627 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL16516909 0.75 HCAR2 (0.36) DYRK1BDYRK1ARPS6KB1AKT1CCNT1
SCHEMBL6273819 0.73 PI4KA (0.35) TSHRMAPTLMNADYRK1BDYRK1A
SCHEMBL3433362 0.72 DYRK1A (0.33) DYRK1BDYRK1A
SCHEMBL479506 0.71 LMNA (0.46) ALDH1A1GABRA1GABRR1GABRA5GABRB2
SCHEMBL1689336 0.70 CCNA2 (0.42) TSHRDYRK1BDYRK1ARPS6KB1AKT1
SCHEMBL21806796 0.70 DYRK1A (0.38) DYRK1BDYRK1ACCNT1CCNA2CDK2
SCHEMBL8319708 0.69 DYRK1B (0.40) DYRK1BDYRK1ACDK9GSK3AGSK3B
SCHEMBL19575386 0.68 LMNA (0.57) ALDH1A1GABRR1TSHRKDM4ELMNA
SCHEMBL10065472 0.68 LMNA (0.54) ALDH1A1GABRA1GABRR1GABRA5GABRB2
SCHEMBL3719115 0.68 KDM4E (0.33) ALDH1A1GABRA1GABRR1GABRA5GABRB2

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 CYP2C19 2180/4885HSD17B10 3078/4885ALDH1A1 639/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 CYP2C19 1419/4885HSD17B10 3549/4885ALDH1A1 601/4885

“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.