SCHEMBL21041198

SCHEMBL21041198

Cc1cccn2nc(-c3ccccc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.57
PARP1 P09874 1/20 0.57
AHR P35869 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
PDE10A Q9Y233 5/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4C Q9H3R0 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL15173442 0.81 AHR (0.78) DHODHPARP1AHRNPC1RAB9A
SCHEMBL30309531 0.81 JAK2 (0.63) DHODHPARP1AHRJAK2JAK3
SCHEMBL19327473 0.79 PARP1 (0.61) DHODHPARP1AHRNPC1RAB9A
SCHEMBL2034227 0.78 PDE10A (0.71) NPC1RAB9ANR1H2NR1H3PDE10A
SCHEMBL30309638 0.77 TDP2 (0.50) AHRNPC1RAB9APDE10AKDM4E
Hydrochloric Acid SCHEMBL2035117 0.77 PDE10A (0.69) NPC1RAB9ANR1H2NR1H3PDE10A
SCHEMBL14007017 0.76 JAK2 (0.47) AHRNPC1RAB9APDE10AKDM4E
SCHEMBL9107632 0.76 PARP1 (0.50) DHODHPARP1AHRNPC1RAB9A
SCHEMBL20604758 0.75 HSD11B1 (0.48) DHODHAHRPDE10AEGFR
SCHEMBL26581740 0.73 AHR (0.41) DHODHPARP1AHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11011710-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-05-18 US disclosed
US-20200358007-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2020-11-12 US disclosed
EP-3489249-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2019-05-29 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 (2 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-20200358007-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, L3MBTL1, FOXM1 DHODH 3377/4885PARP1 2116/4885AHR 1857/4885
US-11011710-B2 Organometallic compound and organic light-emitting device including the same L1CAM, L3MBTL1, FOXM1 DHODH 3377/4885PARP1 2116/4885AHR 1857/4885

“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.