SCHEMBL4008095

SCHEMBL4008095

Cc1cc2nc(Cl)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
GAA P10253 3/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
ALDH1A1 P00352 5/20 0.39
AXL P30530 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
MAOA P21397 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
SCHEMBL15431204 0.80 CYP2A6 (0.50) KEAP1CYP2A6CYP1A2ALDH1A1AXL
SCHEMBL4248284 0.79 SIRT2 (0.37) GAAHPGDSIRT2ALDH1A1LMNA
SCHEMBL16920127 0.79 SIRT2 (0.42) KEAP1GAASIRT2ALDH1A1MAPT
SCHEMBL4904552 0.79 KEAP1 (0.44) KEAP1CYP2A6GAACYP1A2HPGD
Hydrochloric Acid SCHEMBL31715333 0.78 CYP2A6 (0.48) KEAP1CYP2A6CYP1A2ALDH1A1AXL
Hydrochloric Acid SCHEMBL21873980 0.78 CYP2A6 (0.48) KEAP1CYP2A6CYP1A2ALDH1A1AXL
SCHEMBL16818801 0.76 SIRT2 (0.40) KEAP1GAASIRT2ALDH1A1MAPT
SCHEMBL22774166 0.76 KEAP1 (0.41) KEAP1CYP2A6GAACYP1A2HPGD
SCHEMBL19212554 0.76 KEAP1 (0.41) KEAP1CYP2A6GAACYP1A2HPGD
SCHEMBL28454738 0.76 SIRT2 (0.40) KEAP1GAASIRT2ALDH1A1LMNA

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 US disclosed
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
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 EP disclosed
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-11-17 US disclosed
EP-3952995-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2022-02-16 EP disclosed
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 CN disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 WO disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
WO-2009005672-A1 ANTIDIABETIC AZAINDOLES AND DIAZAINDOLES MERCK & CO., INC. (US) 2009-01-08 WO disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
WO-2006041831-A2 CYCLIC Β-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-20 WO disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (6 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD KEAP1 3252/4885CYP2A6 2113/4885GAA 1503/4885
US-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 KEAP1 2767/4885CYP2A6 936/4885GAA 154/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 KEAP1 2847/4885CYP2A6 887/4885GAA 151/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 KEAP1 1700/4885CYP2A6 2579/4885GAA 2522/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 KEAP1 2847/4885CYP2A6 887/4885GAA 151/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT KEAP1 785/4885CYP2A6 1218/4885GAA 765/4885

“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.