SCHEMBL21397015

SCHEMBL21397015

N#Cc1cccc(-c2cccnc2-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
DRD2 P14416 3/20 0.34
SLC22A12 Q96S37 2/20 0.34
HTR2A P28223 2/20 0.34
IMPDH2 P12268 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
ELANE P08246 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
MAPK14 Q16539 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DUSP3 P51452 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21396660 0.95 CYP11B2 (0.33) LRRK2DRD2SLC22A12HTR2AIMPDH2
SCHEMBL21396745 0.89 GABRA1 (0.35) LRRK2DRD2SLC22A12HTR2AIMPDH2
SCHEMBL21397049 0.89 GABRA1 (0.36) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL19062207 0.86 IMPDH2 (0.43) IMPDH2ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL21396779 0.82 LRRK2 (0.34) LRRK2DRD2SLC22A12HTR2AIMPDH2
SCHEMBL21396768 0.82 DRD2 (0.38) LRRK2DRD2SLC22A12HTR2AIMPDH2
SCHEMBL3705425 0.81 KDM4E (0.43) ALDH1A1MAPTKDM4EMAPK14DUSP3
SCHEMBL21397137 0.81 LRRK2 (0.35) LRRK2DRD2SLC22A12HTR2AIMPDH2
SCHEMBL21397059 0.81 MEN1 (0.37) LRRK2SLC22A12IMPDH2ALDH1A1MAPT
SCHEMBL21396659 0.80 SMN1; SMN2 (0.35) LRRK2SLC22A12RECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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 (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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 LRRK2 1375/4885DRD2 2022/4885SLC22A12 224/4885

“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.