SCHEMBL4220909

SCHEMBL4220909

C=CCn1ccncc1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
ADORA2B P29275 2/20 0.34
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
USP19 O94966 2/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 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
SCHEMBL1381419 0.68 POLB (0.46) KDM4ELMNANPC1KMT2A
SCHEMBL6675403 0.68 CYP3A4 (0.52) CYP3A4CYP1A2CYP2D6ADORA2BKDM4E
SCHEMBL16371569 0.67 ALDH1A1 (0.35) CYP3A4CYP1A2CYP2D6ADORA2BLMNA
SCHEMBL7614386 0.67 KDM4C (0.50) CYP3A4CYP1A2CYP2D6KDM4EADORA2A
SCHEMBL2086433 0.67 ADORA2B (0.35) CYP3A4CYP1A2CYP2D6ADORA2BPDE4A
SCHEMBL1490959 0.65 ADORA2B (0.33) CYP3A4CYP1A2CYP2D6ADORA2BLMNA
SCHEMBL9292715 0.65 CYP3A4 (0.35) CYP3A4CYP1A2CYP2D6ADORA2BKDM4E
SCHEMBL9749715 0.65 ADORA2B (0.37) CYP3A4CYP1A2CYP2D6ADORA2BPDE4A
SCHEMBL21527215 0.65 MAPT (0.56) LMNANPC1KMT2A
SCHEMBL20417809 0.64 SMN1; SMN2 (0.42) CYP3A4CYP1A2CYP2D6KDM4ENPC1

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
JP-62198671-A None JP disclosed
US-8211920-B2 6-oxo-1,6-dihydropyridine derivatives as inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-07-03 US disclosed
US-20090215834-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-08-27 US disclosed
US-4870176-A ANTI-LIPOPEROXIDE, VASODILATION, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-09-26 US disclosed
US-4870176-A ANTI-LIPOPEROXIDE, VASODILATION, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-09-26 US disclosed
US-4837319-A VASODILATORS, ANTICOAGULANTS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-06-06 US disclosed
EP-0242957-A1 1-Substituted Alkyl-1, 2-Dihydro-2-Pyrazinone derivatives TOYO JOZO KABUSHIKI KAISHA (JP) 1987-10-28 EP disclosed
JP-S62198671-A 1-SUBSTITUTED ALKYL 1, 2-DIHYDRO-2-PYRAZINONE DERIVATIVE TOYO JOZO CO LTD 1987-09-02 JP 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 (1 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-20090215834-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF NRAS, BRAF, MAPK9 CYP3A4 727/4885CYP1A2 467/4885CYP2D6 299/4885

“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.