SCHEMBL2834814

SCHEMBL2834814

COc1ccc(Cc2nc(N3CCN(C)CC3)c3c(C)c(C#N)sc3n2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 7/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
RAD52 P43351 1/20 0.44
NSD2 O96028 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
PDE5A O76074 1/20 0.39
HTR6 P50406 2/20 0.39
HTT P42858 3/20 0.39
GPX4 P36969 1/20 0.38
NTSR1 P30989 1/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL2838027 0.90 KDM4E (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL2834729 0.90 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL8311896 0.87 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL2843068 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL2834831 0.83 KDM4E (0.59) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL2840153 0.80 KMT2A (0.41) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL2838833 0.79 CA2 (0.39) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL2834805 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL2833857 0.79 KMT2A (0.41) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL2838759 0.78 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHSD17B10HPGD

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 9 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
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

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 2683/4885TSHR 4135/4885

“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.