SCHEMBL1094643

SCHEMBL1094643

Nc1ncnc(N(Cc2ccccc2)C2=COCO2)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.39
EGFR P00533 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.32
CYP3A4 P08684 1/20 0.32
CA2 P00918 1/20 0.31
CSF1R P07333 1/20 0.31
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL182883 0.69 CA2 (0.35) LMNAMEN1KMT2ACA2
SCHEMBL4766640 0.67 CSF1R (0.65) EGFRCSF1R
SCHEMBL4774059 0.67 CSF1R (0.58) EGFRCSF1R
SCHEMBL4764400 0.67 CSF1R (0.53) EGFRCSF1R
SCHEMBL2504679 0.66 AOC3 (0.41) RAB9AHTTCA2
SCHEMBL264778 0.66 PDK1 (0.36) MEN1KMT2A
Hydrochloric Acid SCHEMBL1881838 0.65 AOC3 (0.40) LMNAMEN1KMT2AHTTCA2
SCHEMBL761128 0.65 TSHR (0.45) LMNARAB9ACYP3A4CA2
SCHEMBL4747223 0.64 TRPM8 (0.42) LMNARAB9AHTT
SCHEMBL7258846 0.64 CA2 (0.40) LMNAMEN1KMT2AHTTCA2

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 LMNA 3862/4885RAB9A 3964/4885EGFR 1201/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 LMNA 3862/4885RAB9A 3964/4885EGFR 1201/4885

“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.