SCHEMBL13217366

SCHEMBL13217366

Cn1ncc2nc(N3CCNCC3)[nH]c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.44
BRD9 Q9H8M2 1/20 0.41
PIM1 P11309 2/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 6/20 0.40
CASP1 P29466 6/20 0.40
CASP7 P55210 6/20 0.40
HSD17B10 Q99714 6/20 0.40
HPGD P15428 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
ADORA1 P30542 2/20 0.36
CYP2C9 P11712 3/20 0.36
HIF1A Q16665 3/20 0.36
GLA P06280 2/20 0.36

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
SCHEMBL2962388 0.76 NAMPT (0.46) ALDH1A1LMNA
SCHEMBL13969649 0.74 HTR3A (0.47) HTR3APIM1ITGB3ITGA2B
SCHEMBL13200983 0.74 ADORA2B (0.49) CYP1A2CYP3A4TSHRMEN1KMT2A
SCHEMBL13199929 0.72 ALDH1A1 (0.42) BRD9ALDH1A1CYP1A2CASP1CASP7
SCHEMBL6408912 0.71 SLC6A9 (0.34) HTR3ADCTPP1
SCHEMBL30814399 0.71 PNP (0.36) BRD9ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL13217450 0.71 ITGB3 (0.42) HTR3APIM1ALDH1A1CYP1A2CASP1
SCHEMBL13485070 0.71 HTR3A (0.36) HTR3APIM1ALDH1A1CYP1A2CASP1
SCHEMBL6417245 0.71 DPP4 (0.34) PIM1MEN1KMT2AADORA1
SCHEMBL13217587 0.70 HTR3A (0.38) HTR3AALDH1A1CYP1A2CASP1CASP7

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
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

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 1879/4885BRD9 738/4885PIM1 1065/4885

“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.