SCHEMBL18201181

SCHEMBL18201181

c1cncc(-c2nc(-c3cccnc3)nc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)n3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.44
CYP3A4 P08684 9/20 0.44
ALDH1A1 P00352 9/20 0.44
CLK4 Q9HAZ1 8/20 0.44
CYP2D6 P10635 6/20 0.44
TSHR P16473 6/20 0.44
HSD17B10 Q99714 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2C9 P11712 2/20 0.44
GLA P06280 1/20 0.44
LMNA P02545 6/20 0.44
MAPT P10636 5/20 0.44
GBA1 P04062 5/20 0.44
MAPK1 P28482 5/20 0.44
USP2 O75604 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL18201296 0.89 MEN1 (0.43) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL18201287 0.89 ALDH1A1 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL18201269 0.87 KDM4E (0.45) CYP1A2CYP3A4ALDH1A1CYP2D6TSHR
SCHEMBL18200394 0.86 CYP1A2 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL18200728 0.86 ALDH1A1 (0.46) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL18201241 0.86 CYP1A2 (0.51) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL18200885 0.85 ALDH1A1 (0.45) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL18201009 0.85 CYP1A2 (0.50) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL18201060 0.84 CYP1A2 (0.43) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL18201293 0.84 CYP1A2 (0.43) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6

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 CYP1A2 134/4885CYP3A4 29/4885ALDH1A1 85/4885

“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.