SCHEMBL26908232

SCHEMBL26908232

N#Cc1ccc(-c2ccc(CN=[N+]=[N-])cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP11B1 P15538 2/20 0.44
▸ KDM1A O60341 1/20 0.40
▸ P2RX3 P56373 1/20 0.37
▸ MLNR O43193 1/20 0.37
▸ CTSC P53634 1/20 0.37
▸ GRM5 P41594 3/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.35
▸ PRKAA2 P54646 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ TPH1 P17752 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL29818961 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL14270233 0.80 LOXL2 (0.47) ALDH1A1KCNH2
SCHEMBL18117450 0.78 GRM2 (0.38) KDM4EALDH1A1L3MBTL1CYP11B1KDM1A
SCHEMBL9021665 0.78 KDM4E (0.61) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL15229534 0.77 LOXL2 (0.44) ALDH1A1KCNH2
SCHEMBL13986853 0.77 KDM4E (0.59) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL29818856 0.76 L3MBTL1 (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL29818872 0.76 KDM4E (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL14471375 0.76 MBOAT4 (0.37) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8019866 0.76 KDM4E (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors LEIDOS BIOMEDICAL RESEARCH INC. 2025-01-09 — — US disclosed
EP-4284798-A1 IMIDAZO[1,2-A]PYRAZINE AND IMIDAZO[1,2-A]PYRIDINE BASED TYROSYL-DNA PHOSPHODIESTERASE I (TDP1) INHIBITORS The USA, as represented by The Secretary, Department of Health and Human Services (US) 2023-12-06 — — EP disclosed
WO-2022164934-A1 IMIDAZO[1,2-A]PYRAZINE AND IMIDAZO[1,2-A]PYRIDINE BASED TYROSYL-DNA PHOSPHODIESTERASE I (TDP1) INHIBITORS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-08-04 — — 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-20250011330-A1 Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors TDP1, TDP2, TOP1 KDM4E 1381/4885ALDH1A1 769/4885HPGD 1321/4885

“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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