SCHEMBL22044401

SCHEMBL22044401

NCc1ccc(-c2nncnn2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ BTK Q06187 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ AGXT P21549 1/20 0.30

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
SCHEMBL30083519 0.77 ADRB2 (0.52) LOXL2HDAC1HDAC6HDAC5BTK
SCHEMBL24791637 0.77 ADRB2 (0.52) LOXL2HDAC1HDAC6HDAC5BTK
SCHEMBL22043754 0.77 ALDH1A1 (0.43) MAPTKDM4ETP53LMNACYP2C9
SCHEMBL22043741 0.73 KDM4E (0.44) MAPTKDM4ETP53HDAC1HDAC6
SCHEMBL22043740 0.73 MAPT (0.40) MAPTKDM4ETP53LMNACYP2C9
SCHEMBL24334730 0.73 KMO (0.43) MAPTKDM4ETP53HDAC6
SCHEMBL22044253 0.73 KDM4E (0.49) MAPTKDM4ETP53LMNACYP2C19
SCHEMBL22043776 0.73 MAPT (0.40) MAPTKDM4ETP53LMNACYP2C9
SCHEMBL27853917 0.72 PSEN1 (0.43) LOXL2HDAC1HDAC6HDAC5BTK
SCHEMBL12496555 0.72 MAOB (0.48) LOXL2IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2022-04-21 — — US 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 LOXL2 3228/4885MAPT 985/4885KDM4E 3148/4885

“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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