SCHEMBL6832863

SCHEMBL6832863

Nc1c(Br)ccc2cnccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 5/20 0.61
AXL P30530 1/20 0.53
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CLK1 P49759 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
KDM4E B2RXH2 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
HASPIN Q8TF76 6/20 0.40
ERN1 O75460 1/20 0.40
PRKCZ Q05513 1/20 0.38
HTT P42858 1/20 0.38
CCNT1 O60563 1/20 0.38
PIM1 P11309 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL30481278 1.00 IMPDH2 (0.61) IMPDH2AXLLMNACYP1A2CYP3A4
SCHEMBL7842033 0.80 ERN1 (0.56) IMPDH2AXLLMNACYP1A2CYP3A4
SCHEMBL252216 0.76 IMPDH2 (1.00) IMPDH2AXLLMNACYP1A2CYP3A4
SCHEMBL25217587 0.76 IMPDH2 (0.52) IMPDH2AXLLMNACYP1A2CYP3A4
SCHEMBL5655780 0.76 IMPDH2 (0.52) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL28598490 0.76 IMPDH2 (0.52) IMPDH2AXLLMNACYP1A2CYP3A4
SCHEMBL25268695 0.76 IMPDH2 (0.52) IMPDH2AXLLMNACYP1A2CYP3A4
SCHEMBL19641735 0.76 IMPDH2 (0.52) IMPDH2AXLLMNACYP1A2CYP3A4
SCHEMBL2233965 0.76 IMPDH2 (0.61) IMPDH2AXLLMNACYP1A2CYP3A4
SCHEMBL30481321 0.76 IMPDH2 (0.52) IMPDH2AXLLMNACYP1A2CYP3A4

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 IMPDH2 1879/4885AXL 1159/4885LMNA 3109/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 IMPDH2 1879/4885AXL 1159/4885LMNA 3109/4885

“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.