SCHEMBL4386916

SCHEMBL4386916

CN(C)C(=O)CNc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cccnc5)CC4)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 2/20 0.53
JAK2 O60674 13/20 0.51
JAK3 P52333 6/20 0.49
CDK2 P24941 3/20 0.48
JAK1 P23458 3/20 0.48
HDAC1 Q13547 3/20 0.48
TYK2 P29597 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
NCOR1 O75376 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
OPA1 O60313 1/20 0.47
ROCK2 O75116 1/20 0.47
STK16 O75716 1/20 0.47
PRKD3 O94806 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
SCHEMBL4386914 0.87 JAK2 (0.55) ACVR1JAK2JAK3CDK2JAK1
SCHEMBL4384905 0.85 JAK2 (0.70) ACVR1JAK2JAK3CDK2JAK1
SCHEMBL4385540 0.84 JAK2 (0.55) ACVR1JAK2JAK3CDK2JAK1
SCHEMBL4386917 0.84 ACVR1 (0.51) ACVR1JAK2JAK3CDK2JAK1
SCHEMBL4385566 0.82 JAK2 (0.51) ACVR1JAK2JAK3CDK2JAK1
SCHEMBL4377792 0.81 JAK2 (0.58) ACVR1JAK2JAK3JAK1HDAC1
SCHEMBL4466245 0.81 IKBKB (0.57) ACVR1JAK2JAK3JAK1HDAC1
SCHEMBL4376933 0.81 JAK2 (0.63) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL4473090 0.81 JAK2 (0.63) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL8239678 0.80 JAK2 (0.53) ACVR1JAK2JAK3CDK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 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 ACVR1 2372/4885JAK2 1/4885JAK3 3/4885

“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.