SCHEMBL2834729

SCHEMBL2834729

COc1cc(Cc2nc(N3CCN(C)CC3)c3c(C)c(C#N)sc3n2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
GAA P10253 3/20 0.42
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TGFBR1 P36897 2/20 0.37
ACVR1 Q04771 2/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
HTR6 P50406 1/20 0.35

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
SCHEMBL2834814 0.90 ALDH1A1 (0.44) ALDH1A1GAARAD52KDM4EHPGD
SCHEMBL2834805 0.90 ALDH1A1 (0.48) ALDH1A1GAARAD52KDM4EHPGD
SCHEMBL2837213 0.84 ALDH1A1 (0.56) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL2843068 0.83 ALDH1A1 (0.58) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL14493252 0.81 ALDH1A1 (0.43) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL2843168 0.80 SMN1; SMN2 (0.42) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL2838027 0.79 KDM4E (0.48) ALDH1A1GAARAD52KDM4EHPGD
SCHEMBL2838839 0.79 SMN1; SMN2 (0.38) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL2843174 0.78 SMN1; SMN2 (0.40) ALDH1A1GAARAD52KDM4EHPGD
SCHEMBL2838723 0.78 SMN1; SMN2 (0.43) ALDH1A1GAAKDM4EHPGDSMN1; SMN2

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 16 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
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 374/4885GAA 502/4885RAD52 3236/4885

“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.