SCHEMBL3586476

SCHEMBL3586476

CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(-c4ccc5ccccc5c4)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.48
AURKA O14965 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
DCLK1 O15075 1/20 0.44
EIF2AK4 Q9P2K8 1/20 0.44
PTK2 Q05397 3/20 0.42
BRD4 O60885 1/20 0.42
GLO1 Q04760 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CCND2 P30279 3/20 0.41
CCND3 P30281 3/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40

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
SCHEMBL1356046 0.86 FLT3 (0.54) FLT3AURKACDK1CCNB1EIF2AK4
SCHEMBL1355988 0.84 FLT3 (0.64) FLT3AURKACDK1CCNB1EIF2AK4
SCHEMBL3585855 0.80 CDK4 (0.59) AURKACDK1CCNB1CDK4CCND1
SCHEMBL1355974 0.80 DCLK1 (0.46) FLT3AURKACDK1CCNB1DCLK1
SCHEMBL1662621 0.80 EIF2AK4 (0.52) FLT3AURKACDK1CCNB1EIF2AK4
SCHEMBL1353795 0.78 DCLK1 (0.52) FLT3AURKACDK1CCNB1DCLK1
SCHEMBL1356282 0.76 FLT3 (0.52) FLT3AURKACDK1CCNB1DCLK1
SCHEMBL1355910 0.74 FGFR4 (0.50) FLT3AURKACDK1CCNB1EIF2AK4
SCHEMBL1355845 0.74 EIF2AK4 (0.60) FLT3AURKAEIF2AK4PTK2ALDH1A1
SCHEMBL31299824 0.74 PDGFRB (0.45) AURKACDK1CCNB1EIF2AK4PTK2

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
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US disclosed
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 disclosed
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 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 FLT3 718/4885AURKA 10/4885CDK1 1/4885

“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.