Sugi Predict

Sugi Predict / Compounds / SCHEMBL13100686

SCHEMBL13100686

SCHEMBL13100686

Cc1ccc2c3cnccc3n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.47
▸ ACHE P22303 4/20 0.44
▸ MAOA P21397 5/20 0.41
▸ MAOB P27338 5/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ELANE P08246 3/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ ATM Q13315 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ KDM4E B2RXH2 1/20 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
SCHEMBL13100687 0.88 ACHE (0.49) TOP2AACHEMAOAMAOBKDM4C
SCHEMBL17109975 0.88 ADORA3 (0.51) TOP2AACHEMAOAKDM4CADORA3
SCHEMBL27097179 0.87 TOP2A (0.43) TOP2AACHEMAOAMAOBADORA3
SCHEMBL280029 0.83 TOP2A (0.50) TOP2AACHEMAOAMAOBADORA3
SCHEMBL18354602 0.81 TOP2A (0.42) TOP2AACHEMAOAMAOBADORA3
SCHEMBL22907184 0.81 TOP2A (0.42) TOP2AACHEMAOAMAOBADORA3
SCHEMBL20129120 0.81 TOP2A (0.42) TOP2AACHEMAOAMAOBADORA3
SCHEMBL16942957 0.81 TOP2A (0.42) TOP2AACHEMAOAMAOBADORA3
SCHEMBL22906839 0.81 ACHE (0.42) TOP2AACHEMAOAMAOBKDM4C
SCHEMBL793554 0.81 GPR3 (0.46) ACHEMAOAATMBCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208026-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-02-19 — — US disclosed
US-20150266863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-09-24 — — US disclosed
US-20150266863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-09-24 — — US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 — — US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 — — 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 (3 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-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT H1-10, MAVS, HNRNPH3 TOP2A 1390/4885ACHE 3302/4885MAOA 1548/4885
US-10208026-B2 Organic electroluminescent materials and devices ZYX, LBR, LOXL1 TOP2A 4528/4885ACHE 2145/4885MAOA 306/4885
US-20150266863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ZYX, LBR, LOXL1 TOP2A 4528/4885ACHE 2145/4885MAOA 306/4885

“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.