SCHEMBL4388209

SCHEMBL4388209

CCN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)nc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 6/20 0.69
CDK6 Q00534 8/20 0.59
CCND1 P24385 6/20 0.59
CDK4 P11802 1/20 0.52
CCND3 P30281 1/20 0.52
JAK2 O60674 5/20 0.52
JAK3 P52333 2/20 0.51
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49

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
SCHEMBL4377094 0.90 JAK2 (0.61) DYRK2JAK2JAK3
SCHEMBL4378275 0.84 JAK2 (0.61) DYRK2JAK2JAK3
SCHEMBL31697637 0.81 DYRK2 (1.00) DYRK2CDK6CCND1
SCHEMBL8311018 0.80 JAK2 (0.61) DYRK2JAK2JAK3
SCHEMBL13911604 0.80 JAK2 (0.59) DYRK2CDK6CCND1JAK2JAK3
SCHEMBL4377671 0.79 JAK2 (0.80) JAK2JAK3
SCHEMBL4383183 0.78 JAK2 (0.57) JAK2JAK3
SCHEMBL4376909 0.78 JAK2 (0.67) DYRK2JAK2JAK3
SCHEMBL4376988 0.78 JAK2 (0.68) CDK6JAK2JAK3CDK9
SCHEMBL4384905 0.75 JAK2 (0.70) JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 DYRK2 72/4885CDK6 109/4885CCND1 35/4885

“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.