SCHEMBL4378640

SCHEMBL4378640

CC(C)CCN1CCN(c2cccc(Nc3nccc(-c4cc[c]cc4)n3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.51
JAK3 P52333 2/20 0.49
CDK2 P24941 6/20 0.49
FLT3 P36888 4/20 0.49
CCNE1 P24864 2/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49
CAMK2D Q13557 3/20 0.48
AIMP2 Q13155 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CCNT1 O60563 3/20 0.46
CCNA2 P20248 3/20 0.46
CDK9 P50750 3/20 0.46
MTOR P42345 1/20 0.44
SMG1 Q96Q15 1/20 0.44
KIT P10721 2/20 0.44

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
SCHEMBL4453332 0.85 JAK2 (0.73) JAK2JAK3CDK2HDAC1HDAC6
SCHEMBL4603101 0.84 JAK2 (0.55) JAK2JAK3CDK2FLT3CCNE1
SCHEMBL4558034 0.80 JAK2 (0.58) JAK2JAK3CDK2FLT3CCNE1
SCHEMBL4583374 0.75 JAK2 (0.54) JAK2JAK3CDK2FLT3CCNE1
Water SCHEMBL27898069 0.74 SMG1 (0.55) JAK2JAK3CDK2FLT3CCNE1
SCHEMBL12800942 0.72 JAK2 (0.51) JAK2JAK3CDK2FLT3CCNE1
SCHEMBL4385969 0.72 JAK2 (0.71) JAK2JAK3HDAC1HDAC6
SCHEMBL34463169 0.72 JAK2 (0.65) JAK2JAK3CDK2FLT3CCNE1
SCHEMBL4385527 0.71 JAK2 (0.76) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4558054 0.71 JAK2 (0.69) JAK2JAK3HDAC1HDAC6

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 JAK2 1/4885JAK3 3/4885CDK2 15/4885

“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.