SCHEMBL1705162

SCHEMBL1705162

Cc1nccc(-c2nc(N)c(C(N)=O)s2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.59
DBF4 Q9UBU7 12/20 0.59
CCNE1 P24864 7/20 0.59
CDK2 P24941 7/20 0.59
CCNT1 O60563 2/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK1A1 P48729 2/20 0.46
CSNK1D P48730 2/20 0.46
CDK9 P50750 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A1 P68400 2/20 0.46
LIMK1 P53667 2/20 0.43
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL4794758 0.78 CDC7 (0.50) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL1705169 0.77 CDC7 (0.45) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL5669669 0.77 KDM4E (0.57) CDC7DBF4CCNE1CDK2LIMK1
SCHEMBL3661249 0.70 KDM4E (0.49) CDC7DBF4CCNE1CDK2CDK9
SCHEMBL12661728 0.67 IKBKB (0.42) CDK2CSNK1A1CDK9LIMK1LMNA
SCHEMBL7063637 0.67 KDM4E (0.76) LMNACYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL9355962 0.66 KDM4E (0.53) CDK2LMNAKDM4EKMT2AALDH1A1
SCHEMBL2829062 0.66 ADORA3 (0.41) LIMK1LMNAKDM4EKMT2ATGFBR1
SCHEMBL13992619 0.65 KDM4E (0.43) CCNE1CDK2LMNACYP3A4CYP2C19
SCHEMBL28442931 0.65 CDC7 (0.35) CDC7DBF4CCNE1CDK2CCNT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS GROUP, INC. 2015-04-09 US disclosed
EP-2109690-B9 EPH-B4 SPECIFIC SIRNA FOR REDUCING EPO-INDUCED TUMOR CELL GROWTH DURING ANEMIA TREATMENT IN CANCER PATIENTS, TISSUE PROTECTIVE ERYTHROPOIETIN RECEPTOR (NEPOR) AND METHODS OF USE. MOLECULAR HEALTH GMBH (DE) 2012-10-24 EP disclosed
EP-2109690-B1 EPH-B4 SPECIFIC SIRNA FOR REDUCING EPO-INDUCED TUMOR CELL GROWTH DURING ANEMIA TREATMENT IN CANCER PATIENTS, TISSUE PROTECTIVE ERYTHROPOIETIN RECEPTOR (NEPOR) AND METHODS OF USE. MOLECULAR HEALTH GMBH (DE) 2012-04-18 EP 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-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, IL5 CDC7 1880/4885DBF4 3550/4885CCNE1 3429/4885

“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.