SCHEMBL1094522

SCHEMBL1094522

Nc1cc(Nc2ccc(Oc3ccc(F)cc3)nc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.58
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
KDM4E B2RXH2 1/20 0.55
KCNH2 Q12809 2/20 0.50
SCN5A Q14524 2/20 0.50
EGFR P00533 2/20 0.46
ERBB3 P21860 1/20 0.46
ERBB2 P04626 1/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
HSPB1 P04792 1/20 0.43
TTBK1 Q5TCY1 1/20 0.41

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
SCHEMBL9929561 0.88 SCN9A (0.56) SCN9AMEN1KMT2AKDM4ESCN5A
SCHEMBL374096 0.81 CDK5 (0.61) SCN9AMEN1KMT2AKCNH2SCN5A
SCHEMBL374428 0.79 MEN1 (0.51) SCN9AMEN1KMT2ACDK1CCNB1
SCHEMBL30046349 0.75 SCN9A (0.76) SCN9AMEN1KMT2AKCNH2SCN5A
SCHEMBL1095506 0.73 KDM4E (0.51) SCN9AMEN1KMT2AKDM4EKCNH2
SCHEMBL1894993 0.73 KDR (0.69) BRAFKDRMAPK14TNNI3K
SCHEMBL28524375 0.72 MEN1 (0.60) SCN9AMEN1KMT2AKDM4EKCNH2
SCHEMBL2721244 0.72 KDM4E (1.00) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL30466074 0.72 KDM4E (1.00) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL10187337 0.71 MEN1 (0.81) SCN9AMEN1KMT2AKDM4EEGFR

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 6 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
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 SCN9A 3830/4885MEN1 4108/4885KMT2A 1911/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 SCN9A 3830/4885MEN1 4108/4885KMT2A 1911/4885

“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.