SCHEMBL1353674

SCHEMBL1353674

C[C@@H](c1ccccc1)n1ncc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 3/20 0.56
IGF1R P08069 1/20 0.53
CDK4 P11802 5/20 0.52
CCND1 P24385 4/20 0.52
CCND3 P30281 3/20 0.52
CDK2 P24941 3/20 0.52
CCND2 P30279 2/20 0.52
CCNA2 P20248 2/20 0.52
CCNK O75909 1/20 0.52
CDK9 P50750 1/20 0.52
CDK6 Q00534 1/20 0.52
PLK4 O00444 3/20 0.51
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNE1 P24864 2/20 0.50
JAK2 O60674 2/20 0.50
AURKA O14965 2/20 0.49
SYK P43405 1/20 0.49
AURKB Q96GD4 1/20 0.48
EGFR P00533 1/20 0.48

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
SCHEMBL1353677 1.00 STAT6 (0.56) STAT6IGF1RCDK4CCND1CCND3
SCHEMBL1355911 0.78 CDK4 (0.56) CDK4CCND1CCND3CDK2CCND2
SCHEMBL1355862 0.76 CDK4 (0.59) STAT6IGF1RCDK4CCND1CCND3
SCHEMBL1355881 0.75 STAT6 (0.57) STAT6IGF1RCDK4CCND1CCND3
SCHEMBL3585927 0.74 STAT6 (0.53) STAT6IGF1RCDK4CCND1CCND3
SCHEMBL1355600 0.74 SYK (0.54) STAT6IGF1RCDK4CCND1CCND3
SCHEMBL1355170 0.73 EIF2AK4 (0.61) STAT6CDK4CCND1CCND3CDK2
SCHEMBL1355309 0.73 STAT6 (0.57) STAT6IGF1RCDK4CCND1CCND3
SCHEMBL12639296 0.73 CDK4 (0.72) CDK4CCND1CCND3CDK2CCND2
SCHEMBL1355413 0.73 CDK4 (0.72) CDK4CCND1CCND3CDK2CCND2

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-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
CN-101616920-A The 1-H-pyrazolo (3,4b) pyrimidine derivatives and as the purposes of mitotic kinase conditioning agent BIOGEN IDEC INC 2009-12-30 CN 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 (2 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 STAT6 2214/4885IGF1R 2618/4885CDK4 101/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 STAT6 2214/4885IGF1R 2618/4885CDK4 101/4885

“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.