SCHEMBL17618142

SCHEMBL17618142

c1ccc(-c2cc(-c3ccc4cc(-c5ccc6c(c5)c5cnccc5n6-c5ccccc5)ccc4c3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ SIRT2 Q8IXJ6 4/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ MAOA P21397 1/20 0.31

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
SCHEMBL17618105 0.97 CYP1A1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17618103 0.96 CYP1A1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17618093 0.96 CYP1A1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17618126 0.96 KMT2A (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17369025 0.96 KMT2A (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17618117 0.95 CYP1A1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17618128 0.95 KMT2A (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17618130 0.95 CYP1A1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17618116 0.95 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17618118 0.93 CYP1A1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD

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-20160087215-A1 NOVEL PYRIMIDINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES HODOGAYA CHEMICAL CO., LTD. (JP) 2016-03-24 — — US disclosed
US-20160087215-A1 NOVEL PYRIMIDINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES HODOGAYA CHEMICAL CO., LTD. (JP) 2016-03-24 — — 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-20160087215-A1 NOVEL PYRIMIDINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT DEVICES SLC29A1, SLC29A2, DHX29 MEN1 2846/4885KMT2A 2216/4885ALDH1A1 1938/4885

“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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