SCHEMBL2839683

SCHEMBL2839683

COc1ccc(-c2nc3sc(C#N)c(C)c3c(=O)[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 3/20 0.56
HPGD P15428 8/20 0.51
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
TNKS O95271 3/20 0.46
PARP1 P09874 3/20 0.46
TNKS2 Q9H2K2 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GUSB P08236 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TMIGD3 P0DMS9 1/20 0.45
ADORA1 P30542 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 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 0.88 KDM4E (0.50) CDKN1AHPGDALDH1A1KDM4ETNKS
SCHEMBL2843024 0.86 TMIGD3 (0.46) CDKN1AHPGDALDH1A1KDM4ETNKS
SCHEMBL2837248 0.85 ALDH1A1 (0.61) HPGDALDH1A1KDM4ERAB9ASENP7
SCHEMBL2833833 0.85 FGFR1 (0.52) CDKN1AHPGDALDH1A1KDM4EGUSB
SCHEMBL13475911 0.84 TNKS (0.49) CDKN1AHPGDALDH1A1KDM4ETNKS
SCHEMBL2838028 0.84 ALDH1A1 (0.57) HPGDALDH1A1KDM4ETMIGD3ADORA1
SCHEMBL13475914 0.84 TMIGD3 (0.45) CDKN1AHPGDALDH1A1KDM4ETMIGD3
SCHEMBL2837355 0.83 BRD4 (0.55) HPGDALDH1A1KDM4ETNKSPARP1
SCHEMBL2837954 0.82 TNKS (0.47) HPGDALDH1A1KDM4ETNKSPARP1
SCHEMBL2853032 0.82 CDKN1A (0.58) CDKN1AALDH1A1KDM4ETMIGD3ADORA1

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 194/4885HPGD 228/4885ALDH1A1 374/4885

“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.