SCHEMBL20540673

SCHEMBL20540673

c1ccc2c(c1)nc1n(-c3ccc4c5ccccc5n(C5CCCCO5)c4c3)c3ccccc3n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 6/20 0.33
HTT P42858 3/20 0.33
KDM4E B2RXH2 6/20 0.33
HPGD P15428 5/20 0.33
GLA P06280 4/20 0.33
GAA P10253 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HIF1A Q16665 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKACA P17612 2/20 0.31
RPS6KB1 P23443 2/20 0.31
GSK3B P49841 2/20 0.31
ROCK1 Q13464 2/20 0.31
CDK4 P11802 2/20 0.31
CDK6 Q00534 2/20 0.31
NOS1 P29475 2/20 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
SCHEMBL24337726 0.92 LMNA (0.33) PDE10AALDH1A1HTTKDM4EHPGD
SCHEMBL31658983 0.76 KDM4E (0.37) ALDH1A1KDM4ENPSR1ATMMEN1
SCHEMBL30951237 0.76 KDM4E (0.37) ALDH1A1KDM4ENPSR1ATMMEN1
SCHEMBL5026596 0.75 CYP1A2 (0.41) PDE10AALDH1A1KDM4ENPSR1MEN1
SCHEMBL14058572 0.74 CHRM1 (0.36) PDE10AALDH1A1KDM4EMEN1KMT2A
SCHEMBL26342569 0.73 KDM4E (0.40) ALDH1A1HTTKDM4EHPGDGAA
SCHEMBL20697965 0.72 KDM4E (0.35) ALDH1A1HTTKDM4EHPGDMEN1
SCHEMBL11969974 0.72 POLB (0.36) PDE10AALDH1A1HTTKDM4EGAA
SCHEMBL20697966 0.72 KDM4E (0.35) ALDH1A1HTTKDM4EHPGDGAA
SCHEMBL8540288 0.72 DDB1 (0.36) PDE10AALDH1A1HTTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591356-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-02-28 US disclosed
US-20220119434-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-04-21 US disclosed
US-20220119434-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-04-21 US disclosed
US-10975113-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-04-13 US disclosed
US-10975113-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-04-13 US disclosed
US-20180305384-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-10-25 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 (4 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-11591356-B2 Organic electroluminescent materials and devices L1CAM, SOD1, EPCAM PDE10A 4346/4885ALDH1A1 914/4885HTT 3602/4885
US-20220119434-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, SOD1, EPCAM PDE10A 4159/4885ALDH1A1 1257/4885HTT 4080/4885
US-10975113-B2 Organic electroluminescent materials and devices OSBPL3, OCIAD1, OSBP PDE10A 4258/4885ALDH1A1 265/4885HTT 4028/4885
US-20180305384-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBP, OCIAD1, OCIAD2 PDE10A 4295/4885ALDH1A1 401/4885HTT 3411/4885

“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.