SCHEMBL19212554

SCHEMBL19212554

Cc1cc2nc(F)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.41
CYP2A6 P11509 1/20 0.41
NFE2L2 Q16236 1/20 0.41
AXL P30530 1/20 0.39
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 5/20 0.35
GAA P10253 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 5/20 0.33
FABP6 P51161 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CACNA1B Q00975 1/20 0.32

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
SCHEMBL29594892 1.00 KEAP1 (0.41) KEAP1CYP2A6NFE2L2AXLALDH1A1
SCHEMBL26262609 0.79 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4904552 0.79 KEAP1 (0.44) KEAP1CYP2A6NFE2L2AXLALDH1A1
SCHEMBL4008095 0.76 KEAP1 (0.41) KEAP1CYP2A6NFE2L2AXLALDH1A1
SCHEMBL15431204 0.76 CYP2A6 (0.50) KEAP1CYP2A6AXLALDH1A1MAPT
SCHEMBL22774166 0.76 KEAP1 (0.41) KEAP1CYP2A6NFE2L2AXLALDH1A1
SCHEMBL26423009 0.76 BRD4 (0.41) KEAP1CYP2A6NFE2L2AXLALDH1A1
Hydrochloric Acid SCHEMBL21873980 0.74 CYP2A6 (0.48) KEAP1CYP2A6AXLALDH1A1MAPT
Hydrochloric Acid SCHEMBL31715333 0.74 CYP2A6 (0.48) KEAP1CYP2A6AXLALDH1A1MAPT
SCHEMBL12965833 0.73 FABP6 (0.45) KEAP1CYP2A6NFE2L2AXLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
EP-3414226-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF Pharmaxis Ltd. (AU) 2018-12-19 EP disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
WO-2017136871-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 WO disclosed
WO-2017136871-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT KEAP1 836/4885CYP2A6 1115/4885NFE2L2 2657/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 KEAP1 1700/4885CYP2A6 2579/4885NFE2L2 1761/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT KEAP1 836/4885CYP2A6 1115/4885NFE2L2 2657/4885

“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.