SCHEMBL1094637

SCHEMBL1094637

Nc1ncnc(Nc2ccc3c(c2)OCO3)c1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.49
PRMT1 Q99873 1/20 0.49
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ULK1 O75385 2/20 0.47
DYRK1A Q13627 3/20 0.47
PDE5A O76074 1/20 0.47
CLK1 P49759 2/20 0.46
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 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
SCHEMBL1105271 0.84 EGFR (0.62) EGFRDYRK1APDE5ACLK1ERBB2
SCHEMBL5001926 0.84 EGFR (0.62) EGFRDYRK1APDE5ACLK1ERBB2
SCHEMBL1096561 0.80 PDE5A (0.59) MEN1KMT2ASMN1; SMN2PDE5AHTT
SCHEMBL1095102 0.76 EGFR (0.56) EGFRMAPTSMN1; SMN2HTTRAF1
SCHEMBL1096546 0.76 EGFR (0.65) EGFRBRAFERBB2
SCHEMBL1095605 0.74 EGFR (0.50) EGFRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1095080 0.74 EGFR (0.56) EGFRMEN1KMT2AKDM4EERBB2
SCHEMBL1095423 0.74 EGFR (0.59) EGFRMAPTDYRK1AHTTCYP1A2
SCHEMBL4734704 0.74 EGFR (0.58) EGFRMAPTDYRK1AMAPK1ERBB2
SCHEMBL4737426 0.73 EGFR (0.50) EGFRERBB2

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 4 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
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 (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 EGFR 1201/4885PRMT1 520/4885MAPT 3084/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885PRMT1 520/4885MAPT 3084/4885

“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.