SCHEMBL22044262

SCHEMBL22044262

Ic1ccc(-c2nnc(-c3ccccn3)nn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.67
KDM4E B2RXH2 10/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 6/20 0.46
HIF1A Q16665 3/20 0.46
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 6/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
PKM P14618 4/20 0.45
HTT P42858 4/20 0.45

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
SCHEMBL17301596 0.84 TP53 (0.78) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL4909919 0.82 KDM4E (0.56) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL30694104 0.82 TP53 (1.00) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL29767699 0.82 TP53 (1.00) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL2852298 0.82 TP53 (1.00) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL27256804 0.81 TP53 (0.67) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL22043746 0.81 TP53 (0.67) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL28815639 0.81 TP53 (0.67) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL25292599 0.81 TP53 (0.67) TP53KDM4ETDP1LMNAHIF1A
SCHEMBL30510747 0.81 TP53 (0.67) TP53KDM4ETDP1LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887359-B1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING UNIV COPENHAGEN (DK) 2026-05-06 EP disclosed
US-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2022-04-21 US disclosed
EP-3887359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2021-10-06 EP disclosed
WO-2020108720-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2020-06-04 WO disclosed
WO-2020108720-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2020-06-04 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 (1 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-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING RTN3, RXFP3, TAAR5 TP53 4537/4885KDM4E 3148/4885TDP1 445/4885

“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.