SCHEMBL1096176

SCHEMBL1096176

Nc1ncnc(Nc2ccc(N3CCOCC3)nc2)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
BTK Q06187 1/20 0.43
KCNH2 Q12809 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
FLT3 P36888 1/20 0.43
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42

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
SCHEMBL1095587 0.86 TTBK1 (0.57) KDM4EMAPTSMN1; SMN2HTTJAK1
SCHEMBL1105419 0.86 EGFR (0.52) GAAMEN1KMT2AKDM4EFLT3
SCHEMBL5001797 0.86 EGFR (0.52) GAAMEN1KMT2AKDM4EFLT3
SCHEMBL1094812 0.74 ADK (0.58) ADKGAAMEN1KMT2AKDM4E
SCHEMBL19683745 0.74 ALDH1A1 (0.41) ADKKDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL12368064 0.73 MAPT (0.54) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL1095605 0.73 EGFR (0.50) MEN1KMT2AMAPTSMN1; SMN2TTBK1
SCHEMBL31003572 0.73 MAPT (0.54) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL4737722 0.72 FLT3 (0.62) MAPTHTTRAB9ANPC1FLT3
SCHEMBL1105373 0.72 FLT3 (0.62) MAPTHTTRAB9ANPC1FLT3

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-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US disclosed
WO-2008073519-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-19 WO disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US disclosed
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 ADK 167/4885GAA 2642/4885MEN1 4108/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 ADK 167/4885GAA 2642/4885MEN1 4108/4885

“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.