SCHEMBL4377216

SCHEMBL4377216

CN(C)C1CCN(c2ccc(Nc3nccc(-c4ccc(N)cc4)n3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.54
JAK3 P52333 7/20 0.54
HDAC1 Q13547 2/20 0.50
JAK1 P23458 2/20 0.49
IKBKB O14920 1/20 0.49
INSR P06213 1/20 0.47
AXL P30530 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL4377212 1.00 JAK2 (0.54) JAK2JAK3HDAC1JAK1IKBKB
SCHEMBL4376925 0.83 JAK2 (0.53) JAK2JAK3HDAC1JAK1IKBKB
SCHEMBL4382459 0.83 JAK2 (0.59) JAK2JAK3HDAC1JAK1IKBKB
SCHEMBL12801090 0.82 JAK2 (0.61) JAK2JAK3JAK1INSRKDR
SCHEMBL4383234 0.81 JAK2 (0.55) JAK2JAK3HDAC1JAK1
SCHEMBL4384827 0.81 JAK2 (0.55) JAK2JAK3HDAC1JAK1
Hydrochloric Acid SCHEMBL28012163 0.81 KDM4E (0.49)
SCHEMBL4383180 0.80 JAK2 (0.75) JAK2JAK3HDAC1JAK1IKBKB
SCHEMBL4376930 0.80 JAK2 (0.75) JAK2JAK3HDAC1JAK1IKBKB
SCHEMBL4376923 0.80 JAK2 (0.75) JAK2JAK3HDAC1JAK1IKBKB

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 3/4885HDAC1 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.