SCHEMBL4734262

SCHEMBL4734262

O=C1CC(c2cncc(Br)c2)=NN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.51
PTK2 Q05397 1/20 0.40
CYP2A6 P11509 2/20 0.38
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
P4HTM Q9NXG6 1/20 0.32
MAPT P10636 1/20 0.32
PDE4B Q07343 2/20 0.32
KCNH2 Q12809 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL11093749 0.73 CYP2A6 (0.39) PTK2CYP2A6PTGS2POLBHCAR2
SCHEMBL5566548 0.72 AXL (0.66) AXLCYP2A6PTGS2SMN1; SMN2CYP11B1
SCHEMBL1505992 0.71 MAPT (0.56) PTK2CYP2A6PTGS2POLBHCAR2
SCHEMBL5566954 0.71 AXL (0.69) AXLSMN1; SMN2MAPTPDE4BKCNH2
SCHEMBL14392676 0.70 CYP2A6 (0.61) PTK2CYP2A6PTGS2POLBHCAR2
SCHEMBL12847195 0.69 AXL (0.56) AXLSMN1; SMN2POLBMAPTPDE4B
SCHEMBL764744 0.69 AXL (0.56) AXLSMN1; SMN2MAPTPDE4BKCNH2
SCHEMBL2375581 0.68 AXL (1.00) AXLSMN1; SMN2MAPTKCNH2PDE3B
SCHEMBL11235120 0.67 SMN1; SMN2 (0.51) SMN1; SMN2CYP11B1CYP11B2MAPTPDE4B
SCHEMBL20279531 0.66 AXL (0.67) AXLSMN1; SMN2POLBMAPTPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 AXL 3291/4885PTK2 4072/4885CYP2A6 426/4885

“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.