SCHEMBL21174607

SCHEMBL21174607

Clc1nc2cccnc2nc1-c1ccc(-c2cccc3cccnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MMP2 P08253 2/20 0.40
TSHR P16473 2/20 0.40
CCR1 P32246 2/20 0.40
CCR8 P51685 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL362622 0.79 KDM4E (0.65) MAPK14KDM4EPKML3MBTL1LMNA
SCHEMBL362270 0.79 L3MBTL1 (0.66) MAPK14KDM4EPKML3MBTL1MAPT
SCHEMBL16581166 0.76 MMP2 (0.54) BRD4KDM4EL3MBTL1MMP2TSHR
SCHEMBL21496289 0.75 ALDH1A1 (0.56) KDM4EL3MBTL1MMP2TSHRCCR1
SCHEMBL30180724 0.75 ALDH1A1 (0.56) KDM4EL3MBTL1MMP2TSHRCCR1
SCHEMBL23606987 0.71 TOP1 (0.46) BRD4KDM4EL3MBTL1MMP2TSHR
SCHEMBL30592746 0.71 MMP2 (0.56) BRD4KDM4EMMP2TSHRCCR1
SCHEMBL12074320 0.71 MMP2 (0.56) BRD4KDM4EMMP2TSHRCCR1
SCHEMBL23080023 0.71 MMP2 (0.47) BRD4KDM4EL3MBTL1MMP2TSHR
SCHEMBL4148271 0.70 MMP2 (0.60) BRD4KDM4EL3MBTL1MMP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3960733-B1 BENZOCARBAZOLE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THEM LG CHEMICAL LTD (KR) 2023-08-09 EP disclosed
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-02-14 US disclosed
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-02-14 US disclosed
EP-3960733-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-03-02 EP disclosed
EP-3960737-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-03-02 EP disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 US disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 US disclosed
EP-3514152-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2019-07-24 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-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP3A4 MAPK14 1145/4885BRD4 142/4885KDM4E 879/4885
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same CYP1B1, CYP2C9, CYP3A4 MAPK14 1145/4885BRD4 142/4885KDM4E 879/4885

“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.