SCHEMBL19085444

SCHEMBL19085444

C=C/C=N\C(=C/C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.38
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.30
▸ CES2 O00748 2/20 0.30
▸ CES1 P23141 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ TSHR P16473 2/20 0.30
▸ DAO P14920 1/20 0.30
▸ NAPRT Q6XQN6 1/20 0.30

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
SCHEMBL18792258 0.84 AKT1 (0.38) AKT1ALDH1A1CES2CES1MAPK1
SCHEMBL22334346 0.81 L3MBTL1 (0.35) ALDH1A1NAPRT
SCHEMBL18937464 0.80 ATM (0.32) ATMALDH1A1CES2CES1MAPK1
SCHEMBL22579814 0.79 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL18792399 0.79 ATM (0.37) AKT1ATMALDH1A1CES2CES1
SCHEMBL21128809 0.76 TP53 (0.49) ATMALDH1A1MAPK1TDP1
SCHEMBL19085533 0.74 AKT1 (0.36) AKT1ATM
SCHEMBL23046369 0.74 KDM4E (0.44) ALDH1A1CES2CES1MAPK1TDP1
SCHEMBL19300441 0.74 AKT1 (0.38) AKT1ATMALDH1A1CES2CES1
SCHEMBL28240816 0.73 AKT1 (0.48) AKT1ATMALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10186672-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-01-22 — — US disclosed
EP-2342305-B1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORP (US) 2018-05-30 — — EP disclosed
US-20170194577-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-07-06 — — 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 (2 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-10186672-B2 Organic electroluminescent materials and devices TYR, DDT, EML4 AKT1 4249/4885ATM 4242/4885ALDH1A1 368/4885
US-20170194577-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES TYR, DDT, EML4 AKT1 4249/4885ATM 4242/4885ALDH1A1 368/4885

“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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