SCHEMBL6832989

SCHEMBL6832989

Cc1cc(Br)cc2ccncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
RAD52 P43351 1/20 0.41
GRM4 Q14833 1/20 0.40
TOP2A P11388 1/20 0.40
HIPK2 Q9H2X6 2/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KIT P10721 1/20 0.37
NQO2 P16083 1/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
HASPIN Q8TF76 2/20 0.37
PIM1 P11309 1/20 0.37
ACHE P22303 1/20 0.36
AXL P30530 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CHUK O15111 1/20 0.35

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
SCHEMBL3701838 0.80 CYP1A2 (0.52) MAOAKDM4EHTTPOLBRAD52
SCHEMBL31227991 0.78 MAOA (0.43) MAOAKDM4EHTTPOLBRAD52
SCHEMBL12847414 0.78 MAOA (0.40) MAOAKDM4EHTTPOLBRAD52
SCHEMBL18848330 0.77 MAOA (0.42) MAOAKDM4EHTTPOLBRAD52
SCHEMBL2502937 0.77 MAOA (0.42) MAOAKDM4EHTTPOLBRAD52
SCHEMBL31226961 0.77 MAOA (0.42) MAOAKDM4EHTTPOLBRAD52
SCHEMBL567384 0.77 KDM4E (0.41) MAOAKDM4EHTTPOLBRAD52
SCHEMBL29574194 0.77 KDM4E (0.41) MAOAKDM4EHTTPOLBRAD52
SCHEMBL29984371 0.77 KDM4E (0.41) MAOAKDM4EHTTPOLBRAD52
SCHEMBL29874850 0.77 KDM4E (0.41) MAOAKDM4EHTTPOLBRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAOA 3268/4885KDM4E 1738/4885HTT 4817/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 MAOA 3268/4885KDM4E 1738/4885HTT 4817/4885

“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.