SCHEMBL6436233

SCHEMBL6436233

COc1cccc(C(=NN)c2nc3nonc3nc2Nc2ccc(F)cc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.38
KLKB1 P03952 1/20 0.38
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
KLK1 P06870 2/20 0.34

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
SCHEMBL6419567 0.92 KMT2A (0.38) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6419556 0.92 KMT2A (0.38) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6431950 0.89 MAPT (0.43) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6431971 0.87 MAPT (0.39) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6417095 0.87 SMN1; SMN2 (0.38) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6417908 0.86 TNF (0.40) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6421060 0.84 MAPT (0.44) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6421067 0.84 MAPT (0.44) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6413537 0.82 MAPT (0.40) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL6438171 0.82 TLR4 (0.41) SMN1; SMN2TP53MAPTMEN1KMT2A

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 SMN1; SMN2 4369/4885TP53 4485/4885MAPT 4420/4885

“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.