SCHEMBL2834737

SCHEMBL2834737

COc1cc(-c2nc(N3CCNC(C)C3)c3c(C)c(C#N)sc3n2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
PRKCI P41743 2/20 0.45
ZAP70 P43403 3/20 0.38
TGFBR1 P36897 3/20 0.36
ACVR1 Q04771 3/20 0.36
KCNH2 Q12809 3/20 0.36
ACVR1B P36896 2/20 0.35
PDE10A Q9Y233 1/20 0.35
PTGS2 P35354 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHEK1 O14757 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2838105 0.90 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2837213 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2837804 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL8313961 0.80 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2835590 0.79 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2834656 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2834007 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2834379 0.75 TSHR (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2839707 0.75 HSD17B10 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2833861 0.75 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662814-B2 4-(4-Ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile; asthma, atopic dermatitis, chronic obstructive pulmonary disease, Crohn's disease, type I and type II diabetes, lymphoid leukemia and other forms of cancer, multiple sclerosis and autoimmune diseases LABORATORIOS ALMIRALL, S.A. (ES) 2010-02-16 US claimed
EP-1590352-B1 4-AMINOTHIENO [2,3-d] PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL LAB (ES) 2007-06-27 EP claimed
US-20060229306-A1 4-Aminothieno[2,3-d]pyrimidine-6-carbonitrile derivatives as pde7 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-10-12 US claimed
EP-1590352-A1 4-AMINOTHIENO [2,3-d] PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-11-02 EP claimed
WO-2004065391-A1 4-AMINOTHIENO[2,3-d]PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-05 WO claimed
US-7662814-B2 4-(4-Ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile; asthma, atopic dermatitis, chronic obstructive pulmonary disease, Crohn's disease, type I and type II diabetes, lymphoid leukemia and other forms of cancer, multiple sclerosis and autoimmune diseases LABORATORIOS ALMIRALL, S.A. (ES) 2010-02-16 US disclosed
US-7662814-B2 4-(4-Ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile; asthma, atopic dermatitis, chronic obstructive pulmonary disease, Crohn's disease, type I and type II diabetes, lymphoid leukemia and other forms of cancer, multiple sclerosis and autoimmune diseases LABORATORIOS ALMIRALL, S.A. (ES) 2010-02-16 US disclosed
EP-1590352-B1 4-AMINOTHIENO [2,3-d] PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL LAB (ES) 2007-06-27 EP disclosed
US-20060229306-A1 4-Aminothieno[2,3-d]pyrimidine-6-carbonitrile derivatives as pde7 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-10-12 US disclosed
EP-1590352-A1 4-AMINOTHIENO [2,3-d] PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-11-02 EP disclosed
WO-2004065391-A1 4-AMINOTHIENO[2,3-d]PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-05 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-20060229306-A1 4-Aminothieno[2,3-d]pyrimidine-6-carbonitrile derivatives as pde7 inhibitors PDE7B, PDE7A, PDE3A KDM4E 2683/4885ALDH1A1 374/4885HPGD 228/4885

“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.