SCHEMBL2837954

SCHEMBL2837954

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.47
TNKS2 Q9H2K2 4/20 0.47
PARP1 P09874 2/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PARP2 Q9UGN5 2/20 0.46
GUSB P08236 2/20 0.46
NLRP3 Q96P20 1/20 0.46
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
MMP8 P22894 4/20 0.45
MMP13 P45452 3/20 0.45
TMIGD3 P0DMS9 1/20 0.43
ADORA1 P30542 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43

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 0.86 KDM4E (0.50) TNKSTNKS2PARP1ALDH1A1KMT2A
SCHEMBL14303513 0.85 ALDH1A1 (0.62) TNKSTNKS2PARP1ALDH1A1MAPT
SCHEMBL2843024 0.84 TMIGD3 (0.46) TNKSTNKS2ALDH1A1MAPTKMT2A
SCHEMBL2837248 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ATMIGD3ADORA1
SCHEMBL2838028 0.82 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ATMIGD3ADORA1
SCHEMBL13475914 0.82 TMIGD3 (0.45) ALDH1A1KMT2ATMIGD3ADORA1RNASEL
SCHEMBL2839683 0.82 CDKN1A (0.56) TNKSTNKS2PARP1ALDH1A1MAPT
SCHEMBL2837355 0.81 BRD4 (0.55) TNKSTNKS2PARP1ALDH1A1KMT2A
SCHEMBL13475911 0.78 TNKS (0.49) TNKSTNKS2ALDH1A1MAPTMEN1
SCHEMBL2833833 0.77 FGFR1 (0.52) ALDH1A1MAPTMEN1KMT2AGUSB

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
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
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 TNKS 1003/4885TNKS2 1108/4885PARP1 1020/4885

“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.