SCHEMBL1094892

SCHEMBL1094892

Cc1c(Cl)cccc1Nc1ncnc(N)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.47
DHODH Q02127 1/20 0.46
MAPT P10636 2/20 0.44
ERBB2 P04626 4/20 0.40
MT-CO2 P00403 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL14467091 0.86 EGFR (0.43) EGFRDHODHMAPTERBB2MT-CO2
SCHEMBL5002064 0.84 EGFR (0.59) EGFRERBB2KDR
SCHEMBL1105351 0.84 EGFR (0.59) EGFRERBB2KDR
SCHEMBL4734673 0.78 EGFR (0.48) EGFRMAPTERBB2MEN1LMNA
SCHEMBL1095626 0.77 ALDH1A1 (0.47) EGFRERBB2LMNAHPGDRAB9A
SCHEMBL1095222 0.77 LMNA (0.47) EGFRMAPTERBB2MEN1LMNA
SCHEMBL1095176 0.77 EGFR (0.50) EGFRERBB2CYP1A2ADRA2ATTBK1
SCHEMBL1096423 0.76 EGFR (0.54) EGFRMAPTERBB2MEN1CYP1A2
SCHEMBL1094629 0.76 KHK (0.46) EGFRERBB2
SCHEMBL1095145 0.75 EGFR (0.57) EGFRERBB2MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US claimed
WO-2007081630-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-19 WO claimed
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 EGFR 1201/4885DHODH 890/4885MAPT 3084/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 EGFR 1201/4885DHODH 890/4885MAPT 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.