SCHEMBL4048583

SCHEMBL4048583

CC1(C)CCc2c(N3CCSCC3)nc(S)c(C#N)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.41
KDM4E B2RXH2 10/20 0.41
HPGD P15428 6/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 2/20 0.41
IDH1 O75874 1/20 0.37
NPSR1 Q6W5P4 7/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 5/20 0.34
HIF1A Q16665 4/20 0.34
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 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
SCHEMBL4045731 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4049208 0.87 IDH1 (0.39) ALDH1A1KDM4EHPGDTSHRIDH1
SCHEMBL4053983 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4048407 0.72 KDM4E (0.32) ALDH1A1KDM4EHPGDIDH1
SCHEMBL4044811 0.70 KDM4E (0.39) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL5013044 0.68 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4044801 0.68 PDE4A (0.37) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL5012401 0.68 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5015889 0.67 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL4922970 0.67 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US disclosed
EP-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD ALDH1A1 391/4885KDM4E 1600/4885HPGD 35/4885

“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.