SCHEMBL18200530

SCHEMBL18200530

Brc1ccnc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
TOP2A P11388 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALK Q9UM73 1/20 0.35
AHR P35869 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 2/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL18200910 0.84 MAPT (0.44) HTTALDH1A1HPGDMAPTTOP2A
SCHEMBL18200909 0.82 ALDH1A1 (0.40) CYP1A2CYP2C19ALDH1A1HPGDMAPT
SCHEMBL18201325 0.82 KDM4E (0.41) CYP1A2CYP2C19HTTALDH1A1HPGD
SCHEMBL17034862 0.81 NPC1 (0.46) CYP1A2HTTALDH1A1HPGDMAPT
SCHEMBL18200724 0.81 MAPT (0.41) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL18200908 0.81 ALDH1A1 (0.41) ALDH1A1HPGDMAPTTOP2AKDM4E
SCHEMBL18200725 0.80 CYP2C9 (0.38) CYP1A2ALDH1A1HPGDMAPTTOP2A
SCHEMBL18201077 0.80 ACVR1 (0.42) CYP1A2ALDH1A1HPGDMAPTKDM4E
SCHEMBL18200720 0.80 MAPT (0.46) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL18200852 0.80 METAP1 (0.39) CYP1A2CYP2C19ALDH1A1HPGDMAPT

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 134/4885CYP2C19 75/4885HTT 2080/4885

“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.