SCHEMBL1105403

SCHEMBL1105403

CCCCOC(=O)c1ccc(Nc2ncnc(N)c2/C=N/OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EGFR P00533 8/20 0.52
ERBB2 P04626 7/20 0.52
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE4D Q08499 1/20 0.48
KDR P35968 2/20 0.48
RECQL P46063 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL1095704 1.00 MAPT (0.58) MAPTTP53HPGDRAB9AALDH1A1
SCHEMBL1096864 0.87 EGFR (0.60) TP53RAB9ANPC1EGFRERBB2
SCHEMBL1105411 0.84 EGFR (0.57) TP53RAB9ANPC1EGFRERBB2
SCHEMBL1096503 0.82 EGFR (0.60) EGFRERBB2KDR
SCHEMBL1095955 0.82 EGFR (0.60) EGFRERBB2KDR
SCHEMBL1095957 0.82 EGFR (0.60) EGFRERBB2KDR
SCHEMBL1105401 0.80 EGFR (0.62) EGFRERBB2KDR
SCHEMBL5320286 0.79 MAPT (0.61) MAPTTP53HPGDRAB9AALDH1A1
SCHEMBL1105409 0.79 EGFR (0.64) MAPTTP53HPGDRAB9AKDM4E
SCHEMBL1105375 0.78 KDR (0.60) EGFRERBB2KDR

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 8 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-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-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 (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 MAPT 3084/4885TP53 1717/4885HPGD 881/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 MAPT 3084/4885TP53 1717/4885HPGD 881/4885

“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.