SCHEMBL21679742

SCHEMBL21679742

Clc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 1/20 0.54
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ NR1I3 Q14994 1/20 0.47
▸ PDE5A O76074 6/20 0.46
▸ ABCG2 Q9UNQ0 6/20 0.46
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ATM Q13315 1/20 0.42

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
SCHEMBL16768514 0.91 METAP1 (0.53) METAP1MEN1KMT2AHTTNR1I3
SCHEMBL17275213 0.89 METAP1 (0.57) METAP1MEN1KMT2AHTTPDE5A
SCHEMBL384799 0.89 METAP1 (0.61) METAP1MEN1KMT2AHTTPDE5A
SCHEMBL786115 0.86 METAP1 (0.54) METAP1MEN1KMT2AHTTNR1I3
SCHEMBL25463096 0.85 MEN1 (0.57) METAP1MEN1KMT2AHTTPDE5A
SCHEMBL16404333 0.85 METAP1 (0.61) METAP1MEN1KMT2AHTTPDE5A
SCHEMBL11826398 0.83 NR1I3 (0.67) METAP1MEN1KMT2AHTTNR1I3
SCHEMBL17300287 0.80 NR1I3 (0.65) METAP1MEN1KMT2ANR1I3ABCG2
SCHEMBL25679160 0.80 METAP1 (0.49) METAP1MEN1KMT2AHTTPDE5A
SCHEMBL26389144 0.80 MEN1 (0.55) METAP1MEN1KMT2AHTTNR1I3

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 — — US disclosed
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 — — US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 — — US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 — — 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 (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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 METAP1 3913/4885MEN1 200/4885KMT2A 878/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 METAP1 3913/4885MEN1 200/4885KMT2A 878/4885

“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.

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