SCHEMBL2834717

SCHEMBL2834717

COC(=O)c1ccc(-c2nc(N3CCN(C)CC3)c3c(C)c(C#N)sc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
ALDH1A1 P00352 6/20 0.68
HPGD P15428 5/20 0.68
HSD17B10 Q99714 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
GAA P10253 1/20 0.68
TSHR P16473 2/20 0.59
KMT2A Q03164 3/20 0.45
PRKCI P41743 2/20 0.43
PRKCZ Q05513 1/20 0.43
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHKA P35790 1/20 0.40
MAPT P10636 1/20 0.40
AURKA O14965 1/20 0.40
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2839330 0.90 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5252200 0.89 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2837251 0.86 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2842630 0.86 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2838108 0.84 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2835594 0.84 KDM4E (0.83) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL13475931 0.83 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5251003 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2834831 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL2840058 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; 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 11 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
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 2683/4885ALDH1A1 374/4885HPGD 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.