SCHEMBL4734673

SCHEMBL4734673

Nc1ccccc1Nc1ncnc(N)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.48
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK10 P53779 1/20 0.39
ERBB2 P04626 3/20 0.38
TP53 P04637 1/20 0.38
APP P05067 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SNCA P37840 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL1096423 0.83 EGFR (0.54) EGFRMAPTKDM4EGAAMEN1
SCHEMBL1094629 0.83 KHK (0.46) EGFRALDH1A1ERBB2SMN1; SMN2
SCHEMBL4734704 0.81 EGFR (0.58) EGFRMAPTERBB2MAPK14TTBK1
SCHEMBL1095423 0.79 EGFR (0.59) EGFRMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL1095176 0.78 EGFR (0.50) EGFRCYP1A2ERBB2TTBK1TTBK2
SCHEMBL1094892 0.78 EGFR (0.47) EGFRMAPTMEN1LMNACYP1A2
SCHEMBL1095645 0.77 EGFR (0.57) EGFRMAPTKDM4EMEN1ALDH1A1
SCHEMBL1095145 0.76 EGFR (0.57) EGFRKDM4EGAAMEN1ALDH1A1
SCHEMBL5526672 0.75 ALDH1A1 (0.41) EGFRKDM4EMEN1ALDH1A1LMNA
SCHEMBL1095847 0.74 KDR (0.46) EGFRLMNAERBB2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-09 US disclosed
WO-2008073519-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-19 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 (1 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-20080249304-A1 PROCESS FOR PREPARING SUBSTITUTED DIAMINOPYRIMIDINE OXIMES DHPS, DPYD, DCPS EGFR 1036/4885MAPT 3972/4885KDM4E 815/4885

“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.