SCHEMBL13200852

SCHEMBL13200852

O=c1[nH]ncc2nc(N3CCNCC3)n(Cc3ccccc3)c12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.61
DPP4 P27487 4/20 0.60
SOS1 Q07889 1/20 0.56
PIM1 P11309 1/20 0.55
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL2961179 0.92 HTR3A (0.53) HTR3ADPP4SOS1PIM1KDM4E
SCHEMBL27623275 0.85 ALDH1A1 (0.47) HTR3ADPP4KDM4ECYP1A2CYP2C9
SCHEMBL8352589 0.84 HTR3A (0.61) HTR3ADPP4SOS1PIM1
SCHEMBL13217380 0.83 PIM1 (0.49) HTR3ADPP4SOS1PIM1
SCHEMBL13200999 0.82 HTR3A (0.62) HTR3ADPP4SOS1PIM1
SCHEMBL13200858 0.81 DPP4 (0.63) HTR3ADPP4SOS1PIM1
SCHEMBL2962148 0.79 ACHE (0.46) KDM4ECYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL13200266 0.78 DPP4 (0.55) DPP4
SCHEMBL13200864 0.78 HTR3A (0.58) HTR3ADPP4SOS1PIM1CYP1A2
SCHEMBL4068476 0.78 HTR3A (0.62) HTR3ADPP4SOS1PIM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 HTR3A 1879/4885DPP4 1/4885SOS1 2653/4885

“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.