SCHEMBL4388626

SCHEMBL4388626

CCN1CCN(c2ccc(Nc3ncc(C)c(-c4ccc(N[C@H](C)C(N)=O)cc4)n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.56
JAK3 P52333 6/20 0.56
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
WEE1 P30291 2/20 0.49
ALK Q9UM73 2/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
CCNK O75909 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCND3 P30281 1/20 0.49
CDK9 P50750 1/20 0.49
CDK6 Q00534 1/20 0.49
JAK1 P23458 4/20 0.47
PTK2 Q05397 4/20 0.47
SYK P43405 3/20 0.46
TYK2 P29597 1/20 0.46
STAT3 P40763 1/20 0.46

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
SCHEMBL4378959 0.86 JAK2 (0.61) JAK2JAK3HDAC1HDAC6WEE1
SCHEMBL4378953 0.86 JAK2 (0.61) JAK2JAK3HDAC1HDAC6WEE1
SCHEMBL4376879 0.84 JAK2 (0.77) JAK2JAK3HDAC1HDAC6WEE1
SCHEMBL4384824 0.84 JAK2 (0.57) JAK2JAK3HDAC1HDAC6CDK2
SCHEMBL4379074 0.81 JAK2 (0.61) JAK2JAK3HDAC1HDAC6WEE1
SCHEMBL4380385 0.81 JAK2 (0.53) JAK2JAK3HDAC1HDAC6WEE1
SCHEMBL4377784 0.79 JAK2 (0.65) JAK2JAK3HDAC1HDAC6WEE1
SCHEMBL4381101 0.77 JAK2 (0.59) JAK2JAK3HDAC1HDAC6WEE1
SCHEMBL4380384 0.77 JAK2 (0.59) JAK2JAK3HDAC1HDAC6WEE1
SCHEMBL8230904 0.76 JAK2 (0.56) JAK2JAK3HDAC1HDAC6WEE1

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 3 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
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885HDAC1 2583/4885

“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.