SCHEMBL18200728

SCHEMBL18200728

c1cncc(-c2nc(-c3cccnc3)nc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
CYP1A2 P05177 8/20 0.46
CYP3A4 P08684 8/20 0.46
TSHR P16473 7/20 0.46
CLK4 Q9HAZ1 6/20 0.46
HSD17B10 Q99714 6/20 0.46
CYP2D6 P10635 5/20 0.46
CYP2C19 P33261 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP2C9 P11712 2/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 6/20 0.45
MAPT P10636 6/20 0.45
USP2 O75604 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
POLB P06746 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
GBA1 P04062 5/20 0.44
MAPK1 P28482 6/20 0.43

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
SCHEMBL18200885 0.99 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL18200729 0.96 CYP1A2 (0.46) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL18200886 0.94 CYP1A2 (0.45) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL18200737 0.94 CYP1A2 (0.46) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL18200816 0.94 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL17034881 0.91 CYP11B1 (0.49) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL18200736 0.91 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL17034943 0.91 CYP11B1 (0.45) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL18200812 0.90 CYP1A2 (0.43) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL18201241 0.90 CYP1A2 (0.51) ALDH1A1CYP1A2CYP3A4TSHRCLK4

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 ALDH1A1 85/4885CYP1A2 134/4885CYP3A4 29/4885

“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.