SCHEMBL2840035

SCHEMBL2840035

CCC(CC)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)nc2sc(C#N)c(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
PDE1B Q01064 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
FLT3 P36888 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
FYN P06241 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL2835410 0.91 PTGS2 (0.41) PTGS2KDM4EALDH1A1HPGDTSHR
SCHEMBL2842673 0.89 PTGS2 (0.45) PTGS2KDM4EALDH1A1HPGDTSHR
SCHEMBL2839668 0.88 PTGS2 (0.43) PTGS2KDM4EALDH1A1HPGDTSHR
SCHEMBL2843719 0.87 PTGS2 (0.46) PTGS2KDM4EALDH1A1HPGDTSHR
SCHEMBL2836361 0.85 SMN1; SMN2 (0.39) PTGS2PDE1BKDM4EALDH1A1HPGD
SCHEMBL2838007 0.85 PTGS2 (0.42) PTGS2KDM4EALDH1A1HPGDTSHR
SCHEMBL2837948 0.84 PRKCI (0.42) PTGS2KDM4EALDH1A1HPGDTSHR
SCHEMBL2838725 0.83 PTGS2 (0.41) PTGS2KDM4EALDH1A1HPGDTSHR
SCHEMBL2838042 0.83 PTGS2 (0.43) PTGS2KDM4EALDH1A1HPGDTSHR
SCHEMBL2838102 0.82 PTGS2 (0.41) PTGS2KDM4EALDH1A1HPGDTSHR

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 12 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
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 PTGS2 288/4885PDE1B 26/4885KDM4E 2683/4885

“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.