SCHEMBL21494552

SCHEMBL21494552

Cc1cccc(C)c1N1Cc2ccccc2C1=N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PKM P14618 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.38

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
Bromide SCHEMBL1930790 0.98 POLB (0.55) POLBLMNAHTTL3MBTL1KMT2A
SCHEMBL21494543 0.91 POLB (0.49) POLBLMNAHTTL3MBTL1KMT2A
SCHEMBL21494519 0.87 LMNA (0.57) POLBLMNAHTTL3MBTL1KMT2A
Bromide SCHEMBL16949950 0.85 LMNA (0.56) POLBLMNAHTTL3MBTL1KMT2A
SCHEMBL30577232 0.79 POLB (0.54) POLBLMNAHTTL3MBTL1KMT2A
SCHEMBL28922624 0.79 NPC1 (0.61) POLBLMNAHTTKMT2AMEN1
SCHEMBL17608737 0.79 POLB (0.54) POLBLMNAHTTL3MBTL1KMT2A
SCHEMBL21494571 0.79 POLB (0.50) POLBLMNAHTTL3MBTL1KMT2A
SCHEMBL21494517 0.79 MEN1 (0.51) POLBLMNAHTTL3MBTL1KMT2A
SCHEMBL21494512 0.77 POLB (0.56) POLBLMNAHTTL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989336-B Metal complexes comprising amidine and indole fused cyclopentadienyl ligands 阿朗新科荷兰有限公司 2023-07-07 CN disclosed
US-11578148-B2 Metal complex comprising amidine and thiophene fused cyclopentadienyl ligands ARLANXEO NETHERLANDS B.V. 2023-02-14 US disclosed
US-11560394-B2 Metal complex comprising amidine and indole fused cyclopentadienyl ligands ARLANXEO NETHERLANDS B.V. 2023-01-24 US disclosed
EP-3732183-B1 METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS Arlanxeo Netherlands Bv (NL) 2021-10-20 EP disclosed
US-20210087305-A1 METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2021-03-25 US disclosed
EP-3781582-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS Arlanxeo Netherlands B.V. (NL) 2021-02-24 EP disclosed
CN-111989336-A Metal complexes comprising amidine and indole fused cyclopentadienyl ligands 阿朗新科荷兰有限公司 2020-11-24 CN disclosed
EP-3732183-A1 METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS Arlanxeo Netherlands B.V. (NL) 2020-11-04 EP disclosed
CN-111527095-A Metal complexes comprising amidine and thiophene fused cyclopentadienyl ligands 阿朗新科荷兰有限公司 2020-08-11 CN disclosed
WO-2019203676-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2019-10-24 WO disclosed
WO-2019201838-A1 METAL COMPLEX COMPRISING AMIDINE AND INDOLE FUSED CYCLOPENTADIENYL LIGANDS ARLANXEO NETHERLANDS B.V. (NL) 2019-10-24 WO 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-20210087305-A1 METAL COMPLEX COMPRISING AMIDINE AND THIOPHENE FUSED CYCLOPENTADIENYL LIGANDS AP3M1, AP2M1, AP1M1 POLB 3995/4885LMNA 4465/4885HTT 3870/4885
US-11560394-B2 Metal complex comprising amidine and indole fused cyclopentadienyl ligands C5, C1S, CLIC4 POLB 4475/4885LMNA 1730/4885HTT 2177/4885
US-11578148-B2 Metal complex comprising amidine and thiophene fused cyclopentadienyl ligands AP3M1, AP2M1, AP1M1 POLB 3995/4885LMNA 4465/4885HTT 3870/4885

“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.