SCHEMBL1355309

SCHEMBL1355309

c1ccc(Cn2ncc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 6/20 0.57
▸ CDK4 P11802 3/20 0.51
▸ CCND3 P30281 3/20 0.51
▸ CCND1 P24385 2/20 0.51
▸ CCND2 P30279 2/20 0.51
▸ PLK4 O00444 4/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ JAK2 O60674 1/20 0.49
▸ AURKA O14965 3/20 0.48
▸ CCNA2 P20248 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CCNK O75909 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CDK6 Q00534 1/20 0.48
▸ SYK P43405 1/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ KIT P10721 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ CCNB2 O95067 1/20 0.47
▸ CCNE2 O96020 1/20 0.47

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
SCHEMBL1356168 0.83 STAT6 (0.57) STAT6CDK4CCND3CCND1CCND2
SCHEMBL1355968 0.78 STAT6 (0.58) STAT6CDK4CCND3CCND1CCND2
SCHEMBL672276 0.76 JAK3 (0.42) STAT6CDK4CCND3CCND1CCND2
SCHEMBL21846878 0.75 JAK3 (0.68) STAT6JAK2FLT3
SCHEMBL1353743 0.75 CDK4 (0.49) STAT6CDK4CCND3CCND1CCND2
SCHEMBL29387386 0.75 JAK3 (0.68) STAT6JAK2FLT3
SCHEMBL1356061 0.75 STAT6 (0.53) STAT6CDK4CCND3CCND1CCND2
SCHEMBL1355862 0.75 CDK4 (0.59) STAT6CDK4CCND3CCND1CCND2
SCHEMBL21846884 0.74 JAK3 (0.60) STAT6CDK4CCND3CCND1CCND2
SCHEMBL29388583 0.74 JAK3 (0.60) STAT6CDK4CCND3CCND1CCND2

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 7 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
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 — — EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 — — WO 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 2214/4885CDK4 101/4885CCND3 196/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 STAT6 2214/4885CDK4 101/4885CCND3 196/4885

“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.

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