SCHEMBL4523575

SCHEMBL4523575

CC(C)(C)Cc1nc2cccnc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.35
PKM P14618 1/20 0.35
RIPK1 Q13546 3/20 0.35
ALDH1A1 P00352 1/20 0.34
AXL P30530 1/20 0.34
NUDT1 P36639 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRM4 Q14833 2/20 0.32
DRD4 P21917 1/20 0.32
LATS1 O95835 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
SCHEMBL13233304 0.84 CYP1A2 (0.43) DDAH1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL4361327 0.81 DDAH1 (0.55) DDAH1PKMALDH1A1AXLNUDT1
SCHEMBL7002587 0.80 GAA (0.42) DDAH1PKMALDH1A1AXLNUDT1
SCHEMBL6948812 0.78 PKM (0.58) DDAH1PKMALDH1A1AXLNUDT1
SCHEMBL9853629 0.78 KDM4C (0.48) DDAH1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18291869 0.77 ALDH1A1 (0.38) DDAH1PKMRIPK1ALDH1A1AXL
SCHEMBL5264712 0.77 ALDH1A1 (0.38) DDAH1PKMALDH1A1AXLNUDT1
SCHEMBL2972100 0.77 ALDH1A1 (0.38) DDAH1PKMRIPK1ALDH1A1AXL
SCHEMBL8288254 0.77 MAPT (0.40) DDAH1PKMRIPK1ALDH1A1AXL
SCHEMBL4347806 0.77 RIPK1 (0.43) RIPK1ALDH1A1AXLNUDT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 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-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 DDAH1 1884/4885PKM 531/4885RIPK1 496/4885

“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.