SCHEMBL2853032

SCHEMBL2853032

COc1cc(-c2nc3sc(C#N)c(C)c3c(=O)[nH]2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 3/20 0.58
MIF P14174 1/20 0.44
POLB P06746 2/20 0.44
FGFR1 P11362 4/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
BRD4 O60885 7/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MPI P34949 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 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
SCHEMBL2833833 0.88 FGFR1 (0.52) CDKN1APOLBFGFR1EGFRSRC
SCHEMBL5297549 0.83 SMN1; SMN2 (0.44) CDKN1APOLBBRD4KDM4EALDH1A1
SCHEMBL2839683 0.82 CDKN1A (0.56) CDKN1ATMIGD3ADORA1BRD4KDM4E
SCHEMBL2843704 0.79 KDM4E (0.50) CDKN1AFGFR1TMIGD3ADORA1BRD4
SCHEMBL2837248 0.79 ALDH1A1 (0.61) POLBTMIGD3ADORA1KDM4EALDH1A1
SCHEMBL2838028 0.78 ALDH1A1 (0.57) TMIGD3ADORA1KDM4EALDH1A1APOBEC3G
SCHEMBL2843024 0.77 TMIGD3 (0.46) CDKN1ATMIGD3ADORA1BRD4KDM4E
SCHEMBL13475911 0.76 TNKS (0.49) CDKN1ATMIGD3ADORA1KDM4EALDH1A1
SCHEMBL2843719 0.74 PTGS2 (0.46) POLBADORA1KDM4EALDH1A1GAA
SCHEMBL2837355 0.74 BRD4 (0.55) TMIGD3ADORA1BRD4KDM4EALDH1A1

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 5 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-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
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 CDKN1A 194/4885MIF 3125/4885POLB 344/4885

“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.