SCHEMBL6830238

SCHEMBL6830238

NNc1cnnc2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.38
GAA P10253 4/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
PABPC1 P11940 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
P4HB P07237 1/20 0.35
ADRB2 P07550 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAK O14976 1/20 0.33
EPHB6 O15197 1/20 0.33
RIPK2 O43353 1/20 0.33
STK16 O75716 1/20 0.33

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
SCHEMBL6832888 0.78 ALK (0.51) MAPTADRB2CCNCCDK8GAK
SCHEMBL6857685 0.74 HTT (0.56) HTTLMNACCNCCDK8SMN1; SMN2
SCHEMBL20265361 0.74 ALDH1A1 (0.47) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL29665255 0.73 ALOX15 (0.39) GAAHTTPABPC1MAPTLMNA
SCHEMBL4297621 0.73 NT5E (0.49) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL796509 0.73 ALOX15 (0.39) GAAHTTPABPC1MAPTLMNA
SCHEMBL30950664 0.73 NT5E (0.49) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL29665280 0.73 NT5E (0.49) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL17910986 0.72 CCNC (0.67) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL31271666 0.71 AXL (0.40) ALDH1A1KDM4EMAPTGAKEPHB6

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 SLC22A12 4110/4885GAA 1861/4885KMT2A 1640/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 SLC22A12 4110/4885GAA 1861/4885KMT2A 1640/4885

“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.