SCHEMBL4390553

SCHEMBL4390553

COc1cc(Nc2nccc(-c3ccc(N[C@@H](CO)C(N)=O)cc3)n2)ccc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.53
JAK3 P52333 10/20 0.53
ZAP70 P43403 1/20 0.53
MAPK10 P53779 3/20 0.49
MAPK8 P45983 2/20 0.49
MAPK9 P45984 2/20 0.49
IGF1R P08069 1/20 0.49
CDK9 P50750 3/20 0.48
CCNT1 O60563 2/20 0.48
JAK1 P23458 3/20 0.47
TYK2 P29597 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
NCOR1 O75376 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
CIT O14578 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
SCHEMBL4376689 0.93 JAK2 (0.53) JAK2JAK3ZAP70MAPK10MAPK8
SCHEMBL4383182 0.90 JAK2 (0.56) JAK2JAK3ZAP70MAPK10MAPK8
SCHEMBL4385930 0.86 JAK2 (0.73) JAK2JAK3ZAP70MAPK10MAPK8
SCHEMBL4385927 0.86 JAK2 (0.73) JAK2JAK3ZAP70MAPK10MAPK8
SCHEMBL4383710 0.85 JAK2 (0.71) JAK2JAK3MAPK10MAPK8MAPK9
SCHEMBL13588456 0.84 JAK2 (0.67) JAK2JAK3ZAP70IGF1RCDK9
SCHEMBL4376766 0.83 JAK2 (0.72) JAK2JAK3ZAP70IGF1RCDK9
SCHEMBL4376667 0.83 JAK2 (0.74) JAK2JAK3ZAP70MAPK10MAPK8
SCHEMBL4376656 0.83 JAK2 (0.74) JAK2JAK3ZAP70MAPK10MAPK8
Hydrochloric Acid SCHEMBL4383810 0.83 JAK2 (0.66) JAK2JAK3ZAP70IGF1RCDK9

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 4 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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO 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 3/4885ZAP70 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.