Sugi Predict

Sugi Predict / Compounds / SCHEMBL1095336

SCHEMBL1095336

SCHEMBL1095336

C[C@H](Nc1ncnc(N)c1/C=N/OCCN1CCCCC1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.45
▸ EGFR P00533 4/20 0.44
▸ RET P07949 1/20 0.43
▸ MET P08581 2/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ ZAP70 P43403 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ PIK3CD O00329 5/20 0.39
▸ PIK3R2 O00459 2/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL1095338 1.00 KDR (0.45) KDREGFRRETMETFLT3
SCHEMBL1096447 0.91 FLT3 (0.50) KDREGFRMETFLT3ERBB2
SCHEMBL1096449 0.91 FLT3 (0.50) KDREGFRMETFLT3ERBB2
SCHEMBL5001608 0.83 EGFR (0.44) KDREGFRRETFLT3ERBB2
SCHEMBL1105258 0.83 EGFR (0.44) KDREGFRRETFLT3ERBB2
SCHEMBL5005262 0.83 EGFR (0.44) KDREGFRRETFLT3ERBB2
SCHEMBL1105263 0.83 EGFR (0.44) KDREGFRRETFLT3ERBB2
SCHEMBL1095202 0.76 GALR3 (0.50) EGFRGALR3NR2F2LMNA
SCHEMBL1095199 0.76 GALR3 (0.50) EGFRGALR3NR2F2LMNA
SCHEMBL1105337 0.76 GALR3 (0.50) EGFRGALR3NR2F2LMNA

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 14 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-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 — — US disclosed
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 — — US disclosed
US-8278446-B2 reacting 4-amino-6-chloro-pyrimidine-5-carbaldehyde with 4-benzyloxy-3-chloro-phenylamine in an aqueous solvent and a catalytic amount of hydrochloric acid, to providw 4-amino-6-(4-benzyloxy-3-chloro-phenylamino)-pyrimidine-5-carbaldehyde, then oximination with (2-morpholin-4-yl-ethyl)-hydroxylamine JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-02 — — US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 — — US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 — — 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
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
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
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 — — US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 — — US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 — — US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 — — US 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 (3 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 KDR 797/4885EGFR 1201/4885RET 536/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 KDR 797/4885EGFR 1201/4885RET 536/4885
US-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS KDR 1277/4885EGFR 1036/4885RET 993/4885

“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.