SCHEMBL3209130

SCHEMBL3209130

CN1CCN(c2ccc(Nc3nccc(Nc4ccc(F)c(Cl)c4)n3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
AURKA O14965 2/20 0.55
AURKB Q96GD4 2/20 0.55
CTSC P53634 1/20 0.54
JAK2 O60674 4/20 0.52
JAK3 P52333 4/20 0.52
EGFR P00533 3/20 0.52
AXL P30530 4/20 0.51
GALR2 O43603 1/20 0.48
WEE1 P30291 1/20 0.47
ZAP70 P43403 1/20 0.46
SLC2A1 P11166 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14079533 0.89 JAK2 (0.58) BRD4AURKAAURKBCTSCJAK2
SCHEMBL13485396 0.87 BRD4 (0.55) BRD4AURKAAURKBJAK2JAK3
SCHEMBL3209266 0.87 BRD4 (0.72) BRD4AURKAAURKBCTSCJAK2
SCHEMBL3211154 0.86 AXL (0.65) BRD4AURKAAURKBJAK2JAK3
SCHEMBL13485389 0.84 JAK2 (0.61) BRD4CTSCJAK2JAK3EGFR
SCHEMBL657412 0.80 MAPK1 (0.62) AURKAEGFRMEN1NPC1LMNA
SCHEMBL3211911 0.79 NTRK1 (0.53) BRD4AURKAJAK2JAK3EGFR
SCHEMBL3197568 0.78 MAPK1 (0.73) AURKAEGFRMEN1NPC1LMNA
SCHEMBL3210195 0.77 JAK2 (0.55) CTSCJAK2JAK3EGFR
SCHEMBL13485400 0.77 JAK2 (0.57) BRD4AURKAAURKBJAK2JAK3

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 BRD4 2018/4885AURKA 974/4885AURKB 694/4885
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 BRD4 251/4885AURKA 185/4885AURKB 144/4885

“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.