SCHEMBL23219318

SCHEMBL23219318

c1ccc2c(c1)nc1n(-c3ccc4c(c3)[nH]c3ccccc34)c3ccccc3n21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
AHR P35869 1/20 0.39
KIF11 P52732 9/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GPR3 P46089 1/20 0.36
AURKA O14965 1/20 0.35
KDM4E B2RXH2 3/20 0.34
TP53 P04637 3/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
NPC1 O15118 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL12800982 0.92 TOP2A (0.40) TOP2AAHRKIF11ALDH1A1HSD17B10
SCHEMBL30876355 0.92 TOP2A (0.40) TOP2AAHRKIF11ALDH1A1HSD17B10
SCHEMBL26342598 0.87 CDK4 (0.36) TOP2AALDH1A1HSD17B10KDM4ETP53
SCHEMBL15631669 0.86 KDM4E (0.35) TOP2AAHRALDH1A1HSD17B10AURKA
SCHEMBL20540671 0.85 KIF11 (0.38) KIF11ALDH1A1HSD17B10TP53HPGD
SCHEMBL20448094 0.83 ALDH1A1 (0.37) TOP2AAHRKIF11ALDH1A1HSD17B10
SCHEMBL20616762 0.82 TOP2A (0.41) TOP2AAHRKIF11ALDH1A1HSD17B10
SCHEMBL18934348 0.82 TOP2A (0.41) TOP2AAHRKIF11ALDH1A1HSD17B10
SCHEMBL18934354 0.81 AHR (0.41) TOP2AAHRKIF11ALDH1A1HSD17B10
SCHEMBL18934858 0.81 AHR (0.41) TOP2AAHRKIF11ALDH1A1HSD17B10

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-20230309379-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-28 US disclosed
US-20230309379-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-28 US disclosed
US-20220119434-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-04-21 US disclosed
US-10975113-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-04-13 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 (3 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-20220119434-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, SOD1, EPCAM TOP2A 3065/4885AHR 2874/4885KIF11 2948/4885
US-10975113-B2 Organic electroluminescent materials and devices OSBPL3, OCIAD1, OSBP TOP2A 3502/4885AHR 3316/4885KIF11 3269/4885
US-20230309379-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND CRY1, LEF1, LAGE3 TOP2A 4429/4885AHR 1765/4885KIF11 2861/4885

“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.