SCHEMBL2839699

SCHEMBL2839699

CCN(CC)c1nc(-c2ccc(C(F)(F)F)cc2)nc2sc(C#N)c(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
ADORA1 P30542 1/20 0.33
FLT3 P36888 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 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
SCHEMBL2840705 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL14493314 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2835617 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2834800 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2837160 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2838096 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2834021 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2838718 0.77 LATS1 (0.46) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2843013 0.76 KDM4E (0.39) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL2841713 0.75 KDM4E (0.62) ALDH1A1KDM4EHPGDTSHRHSD17B10

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 17 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
CN-100582112-C 4-aminothieno [2,3-d] pyrimidine-6-carbonitrile derivatives as PDE7 inhibitors ALMIRALL PRODESFARMA SA 2010-01-20 CN 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
CN-1761671-A 4-aminothieno [2,3-d] pyrimidine-6-carbonitrile derivatives as PDE7 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-04-19 CN 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
CN-100582112-C 4-aminothieno [2,3-d] pyrimidine-6-carbonitrile derivatives as PDE7 inhibitors ALMIRALL PRODESFARMA SA 2010-01-20 CN 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
CN-1761671-A 4-aminothieno [2,3-d] pyrimidine-6-carbonitrile derivatives as PDE7 inhibitors ALMIRALL PRODESFARMA SA (ES) 2006-04-19 CN 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 ALDH1A1 374/4885KDM4E 2683/4885HPGD 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.