SCHEMBL2838722

SCHEMBL2838722

COc1cc(-c2nc(NC3CCCC3)c3c(C)c(C#N)sc3n2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.58
PDE7B Q9NP56 1/20 0.58
PTGS2 P35354 2/20 0.44
NSD2 O96028 2/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.37
HTT P42858 1/20 0.35
CCR4 P51679 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PI4KB Q9UBF8 1/20 0.34
CHRM4 P08173 1/20 0.34
FLT3 P36888 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
SCHEMBL2840769 0.98 PDE7A (0.56) PDE7APDE7BPTGS2NSD2MAPT
SCHEMBL2840085 0.96 PDE7A (0.52) PDE7APDE7BPTGS2NSD2MAPT
SCHEMBL2843719 0.86 PTGS2 (0.46) PDE7APDE7BPTGS2MAPTKDM4E
SCHEMBL5249689 0.85 NSD2 (0.44) PDE7APDE7BNSD2MAPTKDM4E
SCHEMBL2842673 0.84 PTGS2 (0.45) PDE7APDE7BPTGS2KDM4EALDH1A1
SCHEMBL2833872 0.83 PDE7A (0.39) PDE7APDE7BNSD2MAPTKDM4E
SCHEMBL2839668 0.83 PTGS2 (0.43) PDE7APDE7BPTGS2KDM4EALDH1A1
SCHEMBL2838042 0.82 PTGS2 (0.43) PDE7APDE7BPTGS2KDM4EALDH1A1
SCHEMBL2843182 0.81 SMN1; SMN2 (0.39) PDE7APDE7BNSD2MAPTKDM4E
SCHEMBL2838007 0.80 PTGS2 (0.42) PDE7APDE7BPTGS2KDM4EALDH1A1

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 13 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
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
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 PDE7A 2/4885PDE7B 1/4885PTGS2 288/4885

“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.