SCHEMBL3587109

SCHEMBL3587109

O=S(=O)(CCC(F)(F)F)Nc1ccc(Nc2ncc3cnn(-c4cccc5ccccc45)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MALT1 Q9UDY8 3/20 0.35
CDK1 P06493 4/20 0.35
CCNB1 P14635 3/20 0.35
CCNT1 O60563 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
BRAF P15056 1/20 0.34
CDK2 P24941 1/20 0.34
BRD4 O60885 4/20 0.34
JAK2 O60674 3/20 0.34
DCLK1 O15075 1/20 0.34
EGFR P00533 1/20 0.33
ULK1 O75385 1/20 0.33
WEE1 P30291 1/20 0.33
AURKA O14965 2/20 0.33
PTK2 Q05397 2/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL3587383 0.84 DCLK1 (0.39) CDK1CCNB1CCNT1CDK7CDK9
SCHEMBL1356702 0.79 EIF2AK4 (0.56) JAK2EGFRAURKAPTK2
SCHEMBL3583178 0.77 SRC (0.42) CDK1CCNB1CCNT1CDK7CDK9
SCHEMBL3573049 0.77 CDK1 (0.46) CDK1CCNB1CCNT1CDK7CDK9
SCHEMBL3589735 0.76 GSK3B (0.53) JAK2EGFRAURKA
SCHEMBL1355974 0.76 DCLK1 (0.46) CDK1CCNB1CCNT1CDK7CDK9
SCHEMBL3585804 0.76 CDK1 (0.46) CDK1CCNB1CCNT1CDK7CDK9
SCHEMBL3588854 0.75 PDGFRB (0.47)
SCHEMBL3588808 0.73 CDK4 (0.54) CDK2BRD4JAK2WEE1
SCHEMBL3581123 0.73 CDK4 (0.44) PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
EP-2108019-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-2008094575-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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B PTGS1 2711/4885PTGS2 3687/4885MALT1 3600/4885

“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.