SCHEMBL2834007

SCHEMBL2834007

COc1cc(OC)c(-c2nc(N3CC(C)NC(C)C3)c3c(C)c(C#N)sc3n2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
PRKCI P41743 1/20 0.39
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 2/20 0.34
RAD52 P43351 1/20 0.34
GHSR Q92847 11/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHEK1 O14757 1/20 0.32
LRRK2 Q5S007 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2838105 0.87 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2834737 0.77 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5249689 0.74 NSD2 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2834831 0.71 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2834790 0.71 HPGD (0.58) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2837213 0.69 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2837804 0.69 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8306834 0.69 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8313961 0.67 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL2835590 0.66 KDM4E (0.52) ALDH1A1KDM4EHPGDHSD17B10TSHR

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 2 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 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

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.