SCHEMBL2837355

SCHEMBL2837355

Cc1c(C#N)sc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
TNKS2 Q9H2K2 10/20 0.46
TNKS O95271 9/20 0.46
PARP2 Q9UGN5 6/20 0.46
WNT3A P56704 5/20 0.44
TMIGD3 P0DMS9 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 6/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP14 Q460N5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
AXIN2 Q9Y2T1 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2843704 0.87 KDM4E (0.50) BRD4TNKS2TNKSTMIGD3ADORA1
SCHEMBL2838028 0.86 ALDH1A1 (0.57) TMIGD3ADORA1ALDH1A1KDM4EHPGD
SCHEMBL2843024 0.85 TMIGD3 (0.46) BRD4TNKS2TNKSPARP2TMIGD3
SCHEMBL2837248 0.84 ALDH1A1 (0.61) TMIGD3ADORA1ALDH1A1KDM4EHPGD
SCHEMBL2839683 0.83 CDKN1A (0.56) BRD4TNKS2TNKSTMIGD3ADORA1
SCHEMBL13475914 0.83 TMIGD3 (0.45) BRD4TMIGD3ADORA1ALDH1A1KDM4E
SCHEMBL2837954 0.81 TNKS (0.47) TNKS2TNKSPARP2TMIGD3ADORA1
SCHEMBL13475911 0.79 TNKS (0.49) TNKS2TNKSWNT3ATMIGD3ADORA1
SCHEMBL2833833 0.78 FGFR1 (0.52) BRD4TMIGD3ADORA1ALDH1A1KDM4E
SCHEMBL2835633 0.76 PARP1 (0.48) TNKS2TNKSTMIGD3ADORA1ALDH1A1

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 8 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
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 BRD4 2442/4885TNKS2 1108/4885TNKS 1003/4885

“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.