SCHEMBL4147996

SCHEMBL4147996

CCc1nc(N)nc(N)c1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 8/20 0.48
HEXB P07686 8/20 0.48
DHFR P00374 6/20 0.48
MEN1 O00255 1/20 0.46
SLC22A1 O15245 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL11853390 0.80 HEXA (0.37) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL26977987 0.77 HEXA (0.41) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL8259803 0.76 HEXA (0.52) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL12484463 0.76 HEXA (0.48) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL3267542 0.74 HEXA (0.47) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL20503385 0.74 HEXA (0.47) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL6358662 0.74 HEXA (0.47) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL14127794 0.74 HEXA (0.45) HEXAHEXBDHFRMEN1SLC22A1
Hydrochloric Acid SCHEMBL18670802 0.73 HEXA (0.46) HEXAHEXBDHFRMEN1SLC22A1
SCHEMBL12158710 0.73 LMNA (0.41) MEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 US disclosed
WO-2009108722-A2 SUBSTITUTED BENZOXAZINONES P & H THERAPEUTICS, INC. (US) 2009-09-03 WO disclosed
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-08-27 US disclosed
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-08-27 US disclosed
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-08-27 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 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 (3 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 HEXA 3454/4885HEXB 2624/4885DHFR 465/4885
US-20090215763-A1 SUBSTITUTED BENZOXAZINONES REN, ACE, AGTR1 HEXA 2789/4885HEXB 2529/4885DHFR 3515/4885
US-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES REN, ACE, AGTR1 HEXA 2850/4885HEXB 2048/4885DHFR 2234/4885

“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.