SCHEMBL19035559

SCHEMBL19035559

CN1CCN(c2ncccn2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.49
HTR1A P08908 3/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
PIM1 P11309 3/20 0.45
MAPT P10636 2/20 0.44
AOC3 Q16853 1/20 0.44
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
ACVR1 Q04771 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
PDE10A Q9Y233 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL82603 0.84 AOC3 (0.49) ALDH1A1LMNAHTR1APIM1AOC3
SCHEMBL30723609 0.82 FGFR1 (0.45) ALDH1A1LMNAHTR1ADRD2HTR2A
SCHEMBL3584893 0.79 PIM1 (0.54) ALDH1A1HTR1APIM1MAPTKDM4E
SCHEMBL20469051 0.79 FGFR1 (0.43) ALDH1A1HTR1APIM1AOC3FGFR1
SCHEMBL17075557 0.79 POLB (0.53) ALDH1A1HTR1APIM1AOC3FGFR1
SCHEMBL26141881 0.78 AOC3 (0.41) PIM1AOC3FGFR1FGFR2FGFR3
SCHEMBL62757 0.75 OGA (0.46) DRD2MAPTAOC3FGFR1FGFR2
SCHEMBL27766764 0.75 FGFR1 (0.41) HTR1APIM1AOC3FGFR1FGFR2
SCHEMBL27766763 0.75 FGFR1 (0.41) ALDH1A1DRD2PIM1AOC3FGFR1
SCHEMBL10498542 0.73 LMNA (0.70) ALDH1A1LMNAMAPTRAB9ANPC1

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-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 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 (2 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 ALDH1A1 78/4885LMNA 2866/4885HTR1A 2724/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ALDH1A1 338/4885LMNA 3279/4885HTR1A 3234/4885

“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.