SCHEMBL2322149

SCHEMBL2322149

Cc1cc(NC(=O)C2CCNCC2)no1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FLT3 P36888 1/20 0.55
MAPT P10636 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 4/20 0.52
CYP2C9 P11712 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.50
EGFR P00533 1/20 0.50
GAA P10253 1/20 0.50
EPHX2 P34913 1/20 0.48

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
SCHEMBL8833289 0.90 SMN1; SMN2 (0.66) SMN1; SMN2POLBTDP1MAPTNPC1
SCHEMBL2324701 0.86 SMN1; SMN2 (0.55) SMN1; SMN2POLBTDP1FLT3MAPT
Trifluoroacetic Acid SCHEMBL21640604 0.79 POLB (0.51) SMN1; SMN2POLBTDP1FLT3MAPT
SCHEMBL18396011 0.75 FLT3 (0.49) SMN1; SMN2POLBFLT3NPC1RAB9A
SCHEMBL29066650 0.74 SMN1; SMN2 (0.60) SMN1; SMN2POLBTDP1MAPTNPC1
SCHEMBL1888991 0.74 MAPT (0.69) SMN1; SMN2POLBTDP1MAPTNPC1
SCHEMBL14812248 0.73 TYK2 (0.47) SMN1; SMN2FLT3MAPTKMT2ACYP2C9
SCHEMBL29012701 0.73 GSK3B (0.54) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL1430419 0.72 MAPT (0.67) SMN1; SMN2TDP1MAPTNPC1RAB9A
SCHEMBL13234830 0.72 FLT3 (1.00) FLT3NPC1RAB9AKMT2AMEN1

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
EP-2352732-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER Merck Patent GmbH (DE) 2011-08-10 EP claimed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 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-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER ENPP2, PLA2G4A, PLA2G4B SMN1; SMN2 3770/4885POLB 1324/4885TDP1 273/4885

“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.