SCHEMBL2838818

SCHEMBL2838818

COc1ccc(Cc2nc(N(C)CCO)c3c(C)c(C#N)sc3n2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
LMNA P02545 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
ABCB1 P08183 4/20 0.33
ABCC1 P33527 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
ABCB11 O95342 2/20 0.33
KCNH2 Q12809 2/20 0.33
TSHR P16473 2/20 0.33
SLC22A1 O15245 1/20 0.33
CACNA1F O60840 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
SCHEMBL2842645 0.90 SMN1; SMN2 (0.35) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL2837991 0.90 CA2 (0.36) KDM4ESMN1; SMN2LMNAL3MBTL1CA2
SCHEMBL2838833 0.88 CA2 (0.39) KDM4ESMN1; SMN2LMNAL3MBTL1CA2
SCHEMBL2834013 0.87 ALDH1A1 (0.36) KDM4ESMN1; SMN2LMNAL3MBTL1CA2
SCHEMBL2833112 0.87 KDM4E (0.35) KDM4ESMN1; SMN2LMNAL3MBTL1CA2
SCHEMBL2838734 0.85 BRAF (0.38) KDM4ESMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL2839441 0.85 CA2 (0.37) KDM4ESMN1; SMN2LMNAL3MBTL1CA2
SCHEMBL2840622 0.83 KDM4E (0.39) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL2833118 0.80 KMT2A (0.43) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL2840153 0.79 KMT2A (0.41) KDM4ESMN1; SMN2LMNACA2ALDH1A1

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 KDM4E 2683/4885SMN1; SMN2 1122/4885LMNA 1632/4885

“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.