SCHEMBL5012355

SCHEMBL5012355

CC1(C)Cc2c(C#N)c(S)nc(NCCc3ccccc3)c2CO1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.65
ALDH1A1 P00352 13/20 0.65
HPGD P15428 8/20 0.65
GAA P10253 5/20 0.65
HIF1A Q16665 3/20 0.65
LMNA P02545 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
MAPT P10636 1/20 0.65
STAT6 P42226 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HSD17B10 Q99714 3/20 0.54
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL4051819 0.82 KDM4E (0.47) KDM4EALDH1A1HPGDGAAHIF1A
SCHEMBL5011522 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDGAAHIF1A
SCHEMBL4707526 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDGAAHIF1A
SCHEMBL16222488 0.77 KDM4E (0.61) KDM4EALDH1A1HPGDGAAHIF1A
SCHEMBL16222483 0.69 KDM4E (0.55) KDM4EALDH1A1HPGDGAAHIF1A
SCHEMBL16222484 0.69 ALDH1A1 (0.75) KDM4EALDH1A1HPGDHIF1ALMNA
SCHEMBL5013088 0.68 KDM4E (0.55) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL4923976 0.68 ALDH1A1 (0.52) KDM4EALDH1A1HPGDGAAHIF1A
SCHEMBL5013044 0.68 ALDH1A1 (0.71) KDM4EALDH1A1HPGDGAAHIF1A
SCHEMBL16222482 0.67 NPSR1 (0.85) KDM4EALDH1A1HPGDHIF1ALMNA

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-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 US disclosed
EP-1819712-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058723-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-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B KDM4E 1526/4885ALDH1A1 438/4885HPGD 25/4885

“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.