SCHEMBL867287

SCHEMBL867287

O=c1[nH]cnc2c(Br)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.35
AXL P30530 1/20 0.34
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
ADORA2A P29274 4/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
XDH P47989 3/20 0.33
ATAD2 Q6PL18 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2B P29275 2/20 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
SCHEMBL18520991 0.79 ALDH1A1 (0.40) ABL1ALDH1A1MAPTADORA2APDE4A
SCHEMBL18520818 0.78 ALDH1A1 (0.42) ALDH1A1MAPTADORA2APDE4APDE4B
SCHEMBL21273229 0.78 ALDH1A1 (0.39) ALDH1A1MAPTADORA2APDE4APDE4B
SCHEMBL18520113 0.75 ADORA2A (0.41) ALDH1A1CHEK1CCNA2CDK2CCNA1
SCHEMBL21539441 0.74 ALDH1A1 (0.36) ALDH1A1MAPTADORA2APDE4APDE4B
SCHEMBL18520998 0.74 ALDH1A1 (0.39) ALDH1A1CDK2ADORA2APDE4APDE4B
SCHEMBL21137393 0.69 ADORA2A (0.36) ALDH1A1ADORA2APDE4APDE4BPDE4C
SCHEMBL4168419 0.66 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHIF1ABLM
SCHEMBL22990589 0.63 ALDH1A1 (0.46) ALDH1A1LMNA
SCHEMBL20225022 0.63 ALDH1A1 (0.46) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 KDR 4830/4885ABL1 1147/4885ALDH1A1 398/4885

“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.