SCHEMBL4390036

SCHEMBL4390036

COC[C@@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)c(OC)c3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.63
JAK3 P52333 11/20 0.63
ZAP70 P43403 1/20 0.52
JAK1 P23458 4/20 0.50
TYK2 P29597 2/20 0.49
IGF1R P08069 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 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
SCHEMBL4390039 1.00 JAK2 (0.63) JAK2JAK3ZAP70JAK1TYK2
SCHEMBL4376684 1.00 JAK2 (0.63) JAK2JAK3ZAP70JAK1TYK2
SCHEMBL4385927 0.93 JAK2 (0.73) JAK2JAK3ZAP70JAK1TYK2
SCHEMBL4385930 0.93 JAK2 (0.73) JAK2JAK3ZAP70JAK1TYK2
SCHEMBL4376656 0.91 JAK2 (0.74) JAK2JAK3ZAP70JAK1TYK2
SCHEMBL4376667 0.91 JAK2 (0.74) JAK2JAK3ZAP70JAK1TYK2
SCHEMBL4378017 0.88 JAK2 (0.81) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4378003 0.88 JAK2 (0.81) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4374500 0.88 JAK2 (0.81) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4376689 0.88 JAK2 (0.53) JAK2JAK3ZAP70JAK1TYK2

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 6 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-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-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
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
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 3/4885ZAP70 38/4885

“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.