SCHEMBL3206970

SCHEMBL3206970

FC(F)(F)c1ccc(Nc2nccc(Nc3cccc(Cl)c3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.70
IGF1R P08069 2/20 0.60
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
ROCK1 Q13464 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
MAPK8 P45983 2/20 0.55
CDK2 P24941 2/20 0.54
CDK4 P11802 1/20 0.54
CHEK1 O14757 1/20 0.54
IKBKB O14920 1/20 0.54
NPC1 O15118 1/20 0.54
PDPK1 O15530 1/20 0.54
CHEK2 O96017 1/20 0.54
PRKCG P05129 1/20 0.54
CDK1 P06493 1/20 0.54
LYN P07948 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL14380911 0.87 IGF1R (0.74) AURKAIGF1RHTR3EHTR3BHTR3A
SCHEMBL31046257 0.86 AURKA (0.73) AURKAIGF1RHTR3EHTR3BHTR3A
SCHEMBL3215185 0.85 AURKA (0.60) AURKAMAPK8CDK2CDK4CHEK1
SCHEMBL28051435 0.85 KDM4E (0.56) AURKACDK1SYK
SCHEMBL16127518 0.82 IGF1R (0.69) AURKAIGF1RMAPK8NPC1MAPT
SCHEMBL14292650 0.81 AURKA (0.52) AURKAIGF1RMAPK8CDK2CDK4
SCHEMBL27075735 0.81 AURKA (0.66) AURKAIGF1RMAPK8SYKLCK
SCHEMBL2946515 0.81 PLK1 (0.77) CDK2CDK4NPC1RAB9ACSNK2A1
SCHEMBL5080766 0.79 SYK (0.69) SYK
SCHEMBL4184375 0.78 AURKA (0.55) AURKAHTR3EHTR3BHTR3AROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101657431-A Pyrimidine-2, 4-diamine derivatives and their use as JAK2 kinase inhibitors SUPERGEN INC US 2010-02-24 CN 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
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 AURKA 974/4885IGF1R 1339/4885HTR3E 1786/4885
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 AURKA 185/4885IGF1R 1726/4885HTR3E 1929/4885

“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.