SCHEMBL19448879

SCHEMBL19448879

Cn1c(=O)c(-c2ccccc2N)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 1.00
▸ RAB9A P51151 5/20 0.71
▸ HTT P42858 2/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ PKM P14618 2/20 0.66
▸ KDM4E B2RXH2 5/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ GAA P10253 3/20 0.63
▸ HPGD P15428 2/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 4/20 0.49
▸ GSR P00390 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL31448409 0.83 MAPT (0.71) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL28694505 0.81 MAPT (0.68) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL29478064 0.81 MAPT (0.69) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL28957306 0.81 MAPT (0.69) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL221991 0.78 MAPT (0.63) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL14006985 0.78 ALDH1A1 (1.00) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL7817360 0.77 CYP3A4 (0.62) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL28516529 0.75 KDM4E (0.82) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL30139977 0.75 KDM4E (0.82) MAPTRAB9AHTTMEN1KMT2A
SCHEMBL31448360 0.73 ALDH1A1 (0.77) MAPTRAB9AHTTMEN1KMT2A

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-9969699-B2 Cancer cell growth inhibitor, anticancer agent, and method for screening same, as well as novel compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2018-05-15 — — US disclosed
US-9969699-B2 Cancer cell growth inhibitor, anticancer agent, and method for screening same, as well as novel compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2018-05-15 — — US disclosed
US-20170291879-A1 Cancer Cell Growth Inhibitor, Anticancer Agent, and Method for Screening Same, as well as Novel Compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-10-12 — — US disclosed
US-20170291879-A1 Cancer Cell Growth Inhibitor, Anticancer Agent, and Method for Screening Same, as well as Novel Compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-10-12 — — 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-20170291879-A1 Cancer Cell Growth Inhibitor, Anticancer Agent, and Method for Screening Same, as well as Novel Compound EGFR, MKI67, ERBB2 MAPT 4545/4885RAB9A 751/4885HTT 4717/4885

“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.

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