SCHEMBL3200779

SCHEMBL3200779

N#CCc1cccc(Nc2ccnc(Nc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.47
CHUK O15111 7/20 0.47
IKBKG Q9Y6K9 7/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
PRKCZ Q05513 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SYK P43405 3/20 0.45
NAMPT P43490 3/20 0.45
AKT1 P31749 1/20 0.43
TGFBR1 P36897 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
BMPR2 Q13873 1/20 0.43
STK26 Q9P289 1/20 0.43
STK24 Q9Y6E0 1/20 0.43

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
SCHEMBL3209512 0.87 JAK2 (0.51) CDK2EGFRSRCJAK2AURKA
SCHEMBL3011240 0.82 JAK3 (0.47) NAMPTBTKJAK2JAK1JAK3
SCHEMBL3210121 0.72 JAK2 (0.71) EGFRJAK2JAK1JAK3
SCHEMBL14021292 0.71 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL8312419 0.71 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL16129177 0.71 PAK1 (0.49) JAK2AURKAJAK3
SCHEMBL8311756 0.70 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL14063722 0.70 IKBKB (0.56) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL17944774 0.70 PAK1 (0.51) SYKJAK2AURKAJAK3
SCHEMBL14095887 0.70 GRM5 (0.66) IKBKBCHUKIKBKGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2010011349-A2 PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE SUPERGEN, INC. (US) 2010-01-28 WO disclosed
WO-2010011349-A2 PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE SUPERGEN, INC. (US) 2010-01-28 WO disclosed
EP-2121634-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SuperGen, Inc. (US) 2009-11-25 EP disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
WO-2008106635-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 WO disclosed
WO-2008106635-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 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 (2 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-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use JAK2, JAK1, IRAK4 IKBKB 35/4885CHUK 37/4885IKBKG 408/4885
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 IKBKB 205/4885CHUK 52/4885IKBKG 1120/4885

“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.